1-butyl-4-methylpiperazine;N,N-dimethylpentan-1-amine;N,N-dimethyl-2-piperidin-1-ylethanamine;N,N-dimethylpropan-1-amine;4-ethyl-1-methylpiperidine;N-ethylpentan-1-amine;1-ethylpiperidine;3-imidazol-1-ylpropan-1-amine;2-(1-methylpyrrolidin-2-yl)ethanamine;2-piperidin-1-ylethanol;4-propylmorpholine;bis(1-propylpiperidine);2-propylpyridine;2-pyrrolidin-1-ylethanamine;N,N',N'-trimethylethane-1,2-diamine

C114H249N23O2 — CID 158921910

IUPAC1-butyl-4-methylpiperazine;N,N-dimethylpentan-1-amine;N,N-dimethyl-2-piperidin-1-ylethanamine;N,N-dimethylpropan-1-amine;4-ethyl-1-methylpiperidine;N-ethylpentan-1-amine;1-ethylpiperidine;3-imidazol-1-ylpropan-1-amine;2-(1-methylpyrrolidin-2-yl)ethanamine;2-piperidin-1-ylethanol;4-propylmorpholine;bis(1-propylpiperidine);2-propylpyridine;2-pyrrolidin-1-ylethanamine;N,N',N'-trimethylethane-1,2-diamine
SMILESCCC1CCN(C)CC1.CCCCCN(C)C.CCCCCNCC.CCCCN1CCN(C)CC1.CCCN(C)C.CCCN1CCCCC1.CCCN1CCCCC1.CCCN1CCOCC1.CCCc1ccccn1.CCN1CCCCC1.CN(C)CCN1CCCCC1.CN1CCCC1CCN.CNCCN(C)C.NCCCn1ccnc1.NCCN1CCCC1.OCCN1CCCCC1
InChIInChI=1S/2C9H20N2.3C8H17N.C8H11N.C7H16N2.2C7H15NO.C7H15N.2C7H17N.C6H11N3.C6H14N2.C5H14N2.C5H13N/c1-10(2)8-9-11-6-4-3-5-7-11;1-3-4-5-11-8-6-10(2)7-9-11;1-3-8-4-6-9(2)7-5-8;2*1-2-6-9-7-4-3-5-8-9;1-2-5-8-6-3-4-7-9-8;1-9-6-2-3-7(9)4-5-8;1-2-3-8-4-6-9-7-5-8;9-7-6-8-4-2-1-3-5-8;1-2-8-6-4-3-5-7-8;1-4-5-6-7-8(2)3;1-3-5-6-7-8-4-2;7-2-1-4-9-5-3-8-6-9;7-3-6-8-4-1-2-5-8;1-6-4-5-7(2)3;1-4-5-6(2)3/h2*3-9H2,1-2H3;8H,3-7H2,1-2H3;2*2-8H2,1H3;3-4,6-7H,2,5H2,1H3;7H,2-6,8H2,1H3;2-7H2,1H3;9H,1-7H2;2-7H2,1H3;4-7H2,1-3H3;8H,3-7H2,1-2H3;3,5-6H,1-2,4,7H2;1-7H2;6H,4-5H2,1-3H3;4-5H2,1-3H3
InChIKeyJHXYSKKXCSBADA-UHFFFAOYSA-N
MW1974.40 g/mol
LogP17.24
Rot. Bonds39

About 1-butyl-4-methylpiperazine;N,N-dimethylpentan-1-amine;N,N-dimethyl-2-piperidin-1-ylethanamine;N,N-dimethylpropan-1-amine;4-ethyl-1-methylpiperidine;N-ethylpentan-1-amine;1-ethylpiperidine;3-imidazol-1-ylpropan-1-amine;2-(1-methylpyrrolidin-2-yl)ethanamine;2-piperidin-1-ylethanol;4-propylmorpholine;bis(1-propylpiperidine);2-propylpyridine;2-pyrrolidin-1-ylethanamine;N,N',N'-trimethylethane-1,2-diamine

1-butyl-4-methylpiperazine;N,N-dimethylpentan-1-amine;N,N-dimethyl-2-piperidin-1-ylethanamine;N,N-dimethylpropan-1-amine;4-ethyl-1-methylpiperidine;N-ethylpentan-1-amine;1-ethylpiperidine;3-imidazol-1-ylpropan-1-amine;2-(1-methylpyrrolidin-2-yl)ethanamine;2-piperidin-1-ylethanol;4-propylmorpholine;bis(1-propylpiperidine);2-propylpyridine;2-pyrrolidin-1-ylethanamine;N,N',N'-trimethylethane-1,2-diamine (PubChem CID 158921910) has the molecular formula C114H249N23O2 and a molecular weight of 1974.40 g/mol. Its IUPAC name is 1-butyl-4-methylpiperazine;N,N-dimethylpentan-1-amine;N,N-dimethyl-2-piperidin-1-ylethanamine;N,N-dimethylpropan-1-amine;4-ethyl-1-methylpiperidine;N-ethylpentan-1-amine;1-ethylpiperidine;3-imidazol-1-ylpropan-1-amine;2-(1-methylpyrrolidin-2-yl)ethanamine;2-piperidin-1-ylethanol;4-propylmorpholine;bis(1-propylpiperidine);2-propylpyridine;2-pyrrolidin-1-ylethanamine;N,N',N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-butyl-4-methylpiperazine;N,N-dimethylpentan-1-amine;N,N-dimethyl-2-piperidin-1-ylethanamine;N,N-dimethylpropan-1-amine;4-ethyl-1-methylpiperidine;N-ethylpentan-1-amine;1-ethylpiperidine;3-imidazol-1-ylpropan-1-amine;2-(1-methylpyrrolidin-2-yl)ethanamine;2-piperidin-1-ylethanol;4-propylmorpholine;bis(1-propylpiperidine);2-propylpyridine;2-pyrrolidin-1-ylethanamine;N,N',N'-trimethylethane-1,2-diamine
PubChem CID158921910
Molecular FormulaC114H249N23O2
Molecular Weight1974.40 g/mol
Exact Mass1973.01
IUPAC Name1-butyl-4-methylpiperazine;N,N-dimethylpentan-1-amine;N,N-dimethyl-2-piperidin-1-ylethanamine;N,N-dimethylpropan-1-amine;4-ethyl-1-methylpiperidine;N-ethylpentan-1-amine;1-ethylpiperidine;3-imidazol-1-ylpropan-1-amine;2-(1-methylpyrrolidin-2-yl)ethanamine;2-piperidin-1-ylethanol;4-propylmorpholine;bis(1-propylpiperidine);2-propylpyridine;2-pyrrolidin-1-ylethanamine;N,N',N'-trimethylethane-1,2-diamine
SMILESCCC1CCN(C)CC1.CCCCCN(C)C.CCCCCNCC.CCCCN1CCN(C)CC1.CCCN(C)C.CCCN1CCCCC1.CCCN1CCCCC1.CCCN1CCOCC1.CCCc1ccccn1.CCN1CCCCC1.CN(C)CCN1CCCCC1.CN1CCCC1CCN.CNCCN(C)C.NCCCn1ccnc1.NCCN1CCCC1.OCCN1CCCCC1
InChIInChI=1S/2C9H20N2.3C8H17N.C8H11N.C7H16N2.2C7H15NO.C7H15N.2C7H17N.C6H11N3.C6H14N2.C5H14N2.C5H13N/c1-10(2)8-9-11-6-4-3-5-7-11;1-3-4-5-11-8-6-10(2)7-9-11;1-3-8-4-6-9(2)7-5-8;2*1-2-6-9-7-4-3-5-8-9;1-2-5-8-6-3-4-7-9-8;1-9-6-2-3-7(9)4-5-8;1-2-3-8-4-6-9-7-5-8;9-7-6-8-4-2-1-3-5-8;1-2-8-6-4-3-5-7-8;1-4-5-6-7-8(2)3;1-3-5-6-7-8-4-2;7-2-1-4-9-5-3-8-6-9;7-3-6-8-4-1-2-5-8;1-6-4-5-7(2)3;1-4-5-6(2)3/h2*3-9H2,1-2H3;8H,3-7H2,1-2H3;2*2-8H2,1H3;3-4,6-7H,2,5H2,1H3;7H,2-6,8H2,1H3;2-7H2,1H3;9H,1-7H2;2-7H2,1H3;4-7H2,1-3H3;8H,3-7H2,1-2H3;3,5-6H,1-2,4,7H2;1-7H2;6H,4-5H2,1-3H3;4-5H2,1-3H3
InChIKeyJHXYSKKXCSBADA-UHFFFAOYSA-N
XLogP17.24
TPSA210.89 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds39
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001974.40
LogP ≤ 517.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-butyl-4-methylpiperazine;N,N-dimethylpentan-1-amine;N,N-dimethyl-2-piperidin-1-ylethanamine;N,N-dimethylpropan-1-amine;4-ethyl-1-methylpiperidine;N-ethylpentan-1-amine;1-ethylpiperidine;3-imidazol-1-ylpropan-1-amine;2-(1-methylpyrrolidin-2-yl)ethanamine;2-piperidin-1-ylethanol;4-propylmorpholine;bis(1-propylpiperidine);2-propylpyridine;2-pyrrolidin-1-ylethanamine;N,N',N'-trimethylethane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-methylpiperazine;N,N-dimethylpentan-1-amine;N,N-dimethyl-2-piperidin-1-ylethanamine;N,N-dimethylpropan-1-amine;4-ethyl-1-methylpiperidine;N-ethylpentan-1-amine;1-ethylpiperidine;3-imidazol-1-ylpropan-1-amine;2-(1-methylpyrrolidin-2-yl)ethanamine;2-piperidin-1-ylethanol;4-propylmorpholine;bis(1-propylpiperidine);2-propylpyridine;2-pyrrolidin-1-ylethanamine;N,N',N'-trimethylethane-1,2-diamine?
The IUPAC name of 1-butyl-4-methylpiperazine;N,N-dimethylpentan-1-amine;N,N-dimethyl-2-piperidin-1-ylethanamine;N,N-dimethylpropan-1-amine;4-ethyl-1-methylpiperidine;N-ethylpentan-1-amine;1-ethylpiperidine;3-imidazol-1-ylpropan-1-amine;2-(1-methylpyrrolidin-2-yl)ethanamine;2-piperidin-1-ylethanol;4-propylmorpholine;bis(1-propylpiperidine);2-propylpyridine;2-pyrrolidin-1-ylethanamine;N,N',N'-trimethylethane-1,2-diamine (CID 158921910) is 1-butyl-4-methylpiperazine;N,N-dimethylpentan-1-amine;N,N-dimethyl-2-piperidin-1-ylethanamine;N,N-dimethylpropan-1-amine;4-ethyl-1-methylpiperidine;N-ethylpentan-1-amine;1-ethylpiperidine;3-imidazol-1-ylpropan-1-amine;2-(1-methylpyrrolidin-2-yl)ethanamine;2-piperidin-1-ylethanol;4-propylmorpholine;bis(1-propylpiperidine);2-propylpyridine;2-pyrrolidin-1-ylethanamine;N,N',N'-trimethylethane-1,2-diamine.
What is the SMILES notation for 1-butyl-4-methylpiperazine;N,N-dimethylpentan-1-amine;N,N-dimethyl-2-piperidin-1-ylethanamine;N,N-dimethylpropan-1-amine;4-ethyl-1-methylpiperidine;N-ethylpentan-1-amine;1-ethylpiperidine;3-imidazol-1-ylpropan-1-amine;2-(1-methylpyrrolidin-2-yl)ethanamine;2-piperidin-1-ylethanol;4-propylmorpholine;bis(1-propylpiperidine);2-propylpyridine;2-pyrrolidin-1-ylethanamine;N,N',N'-trimethylethane-1,2-diamine?
The canonical SMILES for 1-butyl-4-methylpiperazine;N,N-dimethylpentan-1-amine;N,N-dimethyl-2-piperidin-1-ylethanamine;N,N-dimethylpropan-1-amine;4-ethyl-1-methylpiperidine;N-ethylpentan-1-amine;1-ethylpiperidine;3-imidazol-1-ylpropan-1-amine;2-(1-methylpyrrolidin-2-yl)ethanamine;2-piperidin-1-ylethanol;4-propylmorpholine;bis(1-propylpiperidine);2-propylpyridine;2-pyrrolidin-1-ylethanamine;N,N',N'-trimethylethane-1,2-diamine is CCC1CCN(C)CC1.CCCCCN(C)C.CCCCCNCC.CCCCN1CCN(C)CC1.CCCN(C)C.CCCN1CCCCC1.CCCN1CCCCC1.CCCN1CCOCC1.CCCc1ccccn1.CCN1CCCCC1.CN(C)CCN1CCCCC1.CN1CCCC1CCN.CNCCN(C)C.NCCCn1ccnc1.NCCN1CCCC1.OCCN1CCCCC1.
What is the InChIKey of 1-butyl-4-methylpiperazine;N,N-dimethylpentan-1-amine;N,N-dimethyl-2-piperidin-1-ylethanamine;N,N-dimethylpropan-1-amine;4-ethyl-1-methylpiperidine;N-ethylpentan-1-amine;1-ethylpiperidine;3-imidazol-1-ylpropan-1-amine;2-(1-methylpyrrolidin-2-yl)ethanamine;2-piperidin-1-ylethanol;4-propylmorpholine;bis(1-propylpiperidine);2-propylpyridine;2-pyrrolidin-1-ylethanamine;N,N',N'-trimethylethane-1,2-diamine?
The InChIKey is JHXYSKKXCSBADA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H20N2.3C8H17N.C8H11N.C7H16N2.2C7H15NO.C7H15N.2C7H17N.C6H11N3.C6H14N2.C5H14N2.C5H13N/c1-10(2)8-9-11-6-4-3-5-7-11;1-3-4-5-11-8-6-10(2)7-9-11;1-3-8-4-6-9(2)7-5-8;2*1-2-6-9-7-4-3-5-8-9;1-2-5-8-6-3-4-7-9-8;1-9-6-2-3-7(9)4-5-8;1-2-3-8-4-6-9-7-5-8;9-7-6-8-4-2-1-3-5-8;1-2-8-6-4-3-5-7-8;1-4-5-6-7-8(2)3;1-3-5-6-7-8-4-2;7-2-1-4-9-5-3-8-6-9;7-3-6-8-4-1-2-5-8;1-6-4-5-7(2)3;1-4-5-6(2)3/h2*3-9H2,1-2H3;8H,3-7H2,1-2H3;2*2-8H2,1H3;3-4,6-7H,2,5H2,1H3;7H,2-6,8H2,1H3;2-7H2,1H3;9H,1-7H2;2-7H2,1H3;4-7H2,1-3H3;8H,3-7H2,1-2H3;3,5-6H,1-2,4,7H2;1-7H2;6H,4-5H2,1-3H3;4-5H2,1-3H3.
What are the key properties of 1-butyl-4-methylpiperazine;N,N-dimethylpentan-1-amine;N,N-dimethyl-2-piperidin-1-ylethanamine;N,N-dimethylpropan-1-amine;4-ethyl-1-methylpiperidine;N-ethylpentan-1-amine;1-ethylpiperidine;3-imidazol-1-ylpropan-1-amine;2-(1-methylpyrrolidin-2-yl)ethanamine;2-piperidin-1-ylethanol;4-propylmorpholine;bis(1-propylpiperidine);2-propylpyridine;2-pyrrolidin-1-ylethanamine;N,N',N'-trimethylethane-1,2-diamine?
1-butyl-4-methylpiperazine;N,N-dimethylpentan-1-amine;N,N-dimethyl-2-piperidin-1-ylethanamine;N,N-dimethylpropan-1-amine;4-ethyl-1-methylpiperidine;N-ethylpentan-1-amine;1-ethylpiperidine;3-imidazol-1-ylpropan-1-amine;2-(1-methylpyrrolidin-2-yl)ethanamine;2-piperidin-1-ylethanol;4-propylmorpholine;bis(1-propylpiperidine);2-propylpyridine;2-pyrrolidin-1-ylethanamine;N,N',N'-trimethylethane-1,2-diamine has a molecular weight of 1974.40 g/mol, XLogP of 17.24, 39 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-methylpiperazine;N,N-dimethylpentan-1-amine;N,N-dimethyl-2-piperidin-1-ylethanamine;N,N-dimethylpropan-1-amine;4-ethyl-1-methylpiperidine;N-ethylpentan-1-amine;1-ethylpiperidine;3-imidazol-1-ylpropan-1-amine;2-(1-methylpyrrolidin-2-yl)ethanamine;2-piperidin-1-ylethanol;4-propylmorpholine;bis(1-propylpiperidine);2-propylpyridine;2-pyrrolidin-1-ylethanamine;N,N',N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 158921910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).