1-butyl-4-methylpiperazine;N',N'-dimethylethane-1,2-diamine;N,N-dimethylpentan-1-amine;N,N-dimethyl-2-piperidin-1-ylethanamine;4-ethyl-1-methylpiperidine;N-ethylpentan-1-amine;1-ethylpiperidine;3-imidazol-1-ylpropan-1-amine;methane;1-methyl-2-propylpyrrolidine;2-piperidin-1-ylethanol;4-propylmorpholine;bis(1-propylpiperidine);2-propylpyridine;1-propylpyrrolidine;N,N',N'-trimethylethane-1,2-diamine

C116H254N22O2 — CID 157162605

About 1-butyl-4-methylpiperazine;N',N'-dimethylethane-1,2-diamine;N,N-dimethylpentan-1-amine;N,N-dimethyl-2-piperidin-1-ylethanamine;4-ethyl-1-methylpiperidine;N-ethylpentan-1-amine;1-ethylpiperidine;3-imidazol-1-ylpropan-1-amine;methane;1-methyl-2-propylpyrrolidine;2-piperidin-1-ylethanol;4-propylmorpholine;bis(1-propylpiperidine);2-propylpyridine;1-propylpyrrolidine;N,N',N'-trimethylethane-1,2-diamine

1-butyl-4-methylpiperazine;N',N'-dimethylethane-1,2-diamine;N,N-dimethylpentan-1-amine;N,N-dimethyl-2-piperidin-1-ylethanamine;4-ethyl-1-methylpiperidine;N-ethylpentan-1-amine;1-ethylpiperidine;3-imidazol-1-ylpropan-1-amine;methane;1-methyl-2-propylpyrrolidine;2-piperidin-1-ylethanol;4-propylmorpholine;bis(1-propylpiperidine);2-propylpyridine;1-propylpyrrolidine;N,N',N'-trimethylethane-1,2-diamine (PubChem CID 157162605) has the molecular formula C116H254N22O2 and a molecular weight of 1989.46 g/mol. Its IUPAC name is 1-butyl-4-methylpiperazine;N',N'-dimethylethane-1,2-diamine;N,N-dimethylpentan-1-amine;N,N-dimethyl-2-piperidin-1-ylethanamine;4-ethyl-1-methylpiperidine;N-ethylpentan-1-amine;1-ethylpiperidine;3-imidazol-1-ylpropan-1-amine;methane;1-methyl-2-propylpyrrolidine;2-piperidin-1-ylethanol;4-propylmorpholine;bis(1-propylpiperidine);2-propylpyridine;1-propylpyrrolidine;N,N',N'-trimethylethane-1,2-diamine.

Molecular Properties

• Compound Name: 1-butyl-4-methylpiperazine;N',N'-dimethylethane-1,2-diamine;N,N-dimethylpentan-1-amine;N,N-dimethyl-2-piperidin-1-ylethanamine;4-ethyl-1-methylpiperidine;N-ethylpentan-1-amine;1-ethylpiperidine;3-imidazol-1-ylpropan-1-amine;methane;1-methyl-2-propylpyrrolidine;2-piperidin-1-ylethanol;4-propylmorpholine;bis(1-propylpiperidine);2-propylpyridine;1-propylpyrrolidine;N,N',N'-trimethylethane-1,2-diamine
• PubChem CID: 157162605
• Molecular Formula: C116H254N22O2
• Molecular Weight: 1989.46 g/mol
• Exact Mass: 1988.05
• IUPAC Name: 1-butyl-4-methylpiperazine;N',N'-dimethylethane-1,2-diamine;N,N-dimethylpentan-1-amine;N,N-dimethyl-2-piperidin-1-ylethanamine;4-ethyl-1-methylpiperidine;N-ethylpentan-1-amine;1-ethylpiperidine;3-imidazol-1-ylpropan-1-amine;methane;1-methyl-2-propylpyrrolidine;2-piperidin-1-ylethanol;4-propylmorpholine;bis(1-propylpiperidine);2-propylpyridine;1-propylpyrrolidine;N,N',N'-trimethylethane-1,2-diamine
• SMILES: C.CCC1CCN(C)CC1.CCCC1CCCN1C.CCCCCN(C)C.CCCCCNCC.CCCCN1CCN(C)CC1.CCCN1CCCC1.CCCN1CCCCC1.CCCN1CCCCC1.CCCN1CCOCC1.CCCc1ccccn1.CCN1CCCCC1.CN(C)CCN.CN(C)CCN1CCCCC1.CNCCN(C)C.NCCCn1ccnc1.OCCN1CCCCC1
• InChI: InChI=1S/2C9H20N2.4C8H17N.C8H11N.2C7H15NO.2C7H15N.2C7H17N.C6H11N3.C5H14N2.C4H12N2.CH4/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;1-3-5-8-6-4-7-9(8)2;2*1-2-6-9-7-4-3-5-8-9;1-2-5-8-6-3-4-7-9-8;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;1-2-5-8-6-3-4-7-8;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;1-6-4-5-7(2)3;1-6(2)4-3-5;/h2*3-9H2,1-2H3;2*8H,3-7H2,1-2H3;2*2-8H2,1H3;3-4,6-7H,2,5H2,1H3;2-7H2,1H3;9H,1-7H2;2*2-7H2,1H3;4-7H2,1-3H3;8H,3-7H2,1-2H3;3,5-6H,1-2,4,7H2;6H,4-5H2,1-3H3;3-5H2,1-2H3;1H4
• InChIKey: AMNWOOVEAVFHOU-UHFFFAOYSA-N
• XLogP: 19.33
• TPSA: 184.87 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 39
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1989.46
LogP ≤ 5	19.33
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-methylpiperazine;N',N'-dimethylethane-1,2-diamine;N,N-dimethylpentan-1-amine;N,N-dimethyl-2-piperidin-1-ylethanamine;4-ethyl-1-methylpiperidine;N-ethylpentan-1-amine;1-ethylpiperidine;3-imidazol-1-ylpropan-1-amine;methane;1-methyl-2-propylpyrrolidine;2-piperidin-1-ylethanol;4-propylmorpholine;bis(1-propylpiperidine);2-propylpyridine;1-propylpyrrolidine;N,N',N'-trimethylethane-1,2-diamine?

The IUPAC name of 1-butyl-4-methylpiperazine;N',N'-dimethylethane-1,2-diamine;N,N-dimethylpentan-1-amine;N,N-dimethyl-2-piperidin-1-ylethanamine;4-ethyl-1-methylpiperidine;N-ethylpentan-1-amine;1-ethylpiperidine;3-imidazol-1-ylpropan-1-amine;methane;1-methyl-2-propylpyrrolidine;2-piperidin-1-ylethanol;4-propylmorpholine;bis(1-propylpiperidine);2-propylpyridine;1-propylpyrrolidine;N,N',N'-trimethylethane-1,2-diamine (CID 157162605) is 1-butyl-4-methylpiperazine;N',N'-dimethylethane-1,2-diamine;N,N-dimethylpentan-1-amine;N,N-dimethyl-2-piperidin-1-ylethanamine;4-ethyl-1-methylpiperidine;N-ethylpentan-1-amine;1-ethylpiperidine;3-imidazol-1-ylpropan-1-amine;methane;1-methyl-2-propylpyrrolidine;2-piperidin-1-ylethanol;4-propylmorpholine;bis(1-propylpiperidine);2-propylpyridine;1-propylpyrrolidine;N,N',N'-trimethylethane-1,2-diamine.

What is the SMILES notation for 1-butyl-4-methylpiperazine;N',N'-dimethylethane-1,2-diamine;N,N-dimethylpentan-1-amine;N,N-dimethyl-2-piperidin-1-ylethanamine;4-ethyl-1-methylpiperidine;N-ethylpentan-1-amine;1-ethylpiperidine;3-imidazol-1-ylpropan-1-amine;methane;1-methyl-2-propylpyrrolidine;2-piperidin-1-ylethanol;4-propylmorpholine;bis(1-propylpiperidine);2-propylpyridine;1-propylpyrrolidine;N,N',N'-trimethylethane-1,2-diamine?

The canonical SMILES for 1-butyl-4-methylpiperazine;N',N'-dimethylethane-1,2-diamine;N,N-dimethylpentan-1-amine;N,N-dimethyl-2-piperidin-1-ylethanamine;4-ethyl-1-methylpiperidine;N-ethylpentan-1-amine;1-ethylpiperidine;3-imidazol-1-ylpropan-1-amine;methane;1-methyl-2-propylpyrrolidine;2-piperidin-1-ylethanol;4-propylmorpholine;bis(1-propylpiperidine);2-propylpyridine;1-propylpyrrolidine;N,N',N'-trimethylethane-1,2-diamine is C.CCC1CCN(C)CC1.CCCC1CCCN1C.CCCCCN(C)C.CCCCCNCC.CCCCN1CCN(C)CC1.CCCN1CCCC1.CCCN1CCCCC1.CCCN1CCCCC1.CCCN1CCOCC1.CCCc1ccccn1.CCN1CCCCC1.CN(C)CCN.CN(C)CCN1CCCCC1.CNCCN(C)C.NCCCn1ccnc1.OCCN1CCCCC1.

What is the InChIKey of 1-butyl-4-methylpiperazine;N',N'-dimethylethane-1,2-diamine;N,N-dimethylpentan-1-amine;N,N-dimethyl-2-piperidin-1-ylethanamine;4-ethyl-1-methylpiperidine;N-ethylpentan-1-amine;1-ethylpiperidine;3-imidazol-1-ylpropan-1-amine;methane;1-methyl-2-propylpyrrolidine;2-piperidin-1-ylethanol;4-propylmorpholine;bis(1-propylpiperidine);2-propylpyridine;1-propylpyrrolidine;N,N',N'-trimethylethane-1,2-diamine?

The InChIKey is AMNWOOVEAVFHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H20N2.4C8H17N.C8H11N.2C7H15NO.2C7H15N.2C7H17N.C6H11N3.C5H14N2.C4H12N2.CH4/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;1-3-5-8-6-4-7-9(8)2;2*1-2-6-9-7-4-3-5-8-9;1-2-5-8-6-3-4-7-9-8;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;1-2-5-8-6-3-4-7-8;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;1-6-4-5-7(2)3;1-6(2)4-3-5;/h2*3-9H2,1-2H3;2*8H,3-7H2,1-2H3;2*2-8H2,1H3;3-4,6-7H,2,5H2,1H3;2-7H2,1H3;9H,1-7H2;2*2-7H2,1H3;4-7H2,1-3H3;8H,3-7H2,1-2H3;3,5-6H,1-2,4,7H2;6H,4-5H2,1-3H3;3-5H2,1-2H3;1H4.

What are the key properties of 1-butyl-4-methylpiperazine;N',N'-dimethylethane-1,2-diamine;N,N-dimethylpentan-1-amine;N,N-dimethyl-2-piperidin-1-ylethanamine;4-ethyl-1-methylpiperidine;N-ethylpentan-1-amine;1-ethylpiperidine;3-imidazol-1-ylpropan-1-amine;methane;1-methyl-2-propylpyrrolidine;2-piperidin-1-ylethanol;4-propylmorpholine;bis(1-propylpiperidine);2-propylpyridine;1-propylpyrrolidine;N,N',N'-trimethylethane-1,2-diamine?

1-butyl-4-methylpiperazine;N',N'-dimethylethane-1,2-diamine;N,N-dimethylpentan-1-amine;N,N-dimethyl-2-piperidin-1-ylethanamine;4-ethyl-1-methylpiperidine;N-ethylpentan-1-amine;1-ethylpiperidine;3-imidazol-1-ylpropan-1-amine;methane;1-methyl-2-propylpyrrolidine;2-piperidin-1-ylethanol;4-propylmorpholine;bis(1-propylpiperidine);2-propylpyridine;1-propylpyrrolidine;N,N',N'-trimethylethane-1,2-diamine has a molecular weight of 1989.46 g/mol, XLogP of 19.33, 39 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butyl-4-methylpiperazine;N',N'-dimethylethane-1,2-diamine;N,N-dimethylpentan-1-amine;N,N-dimethyl-2-piperidin-1-ylethanamine;4-ethyl-1-methylpiperidine;N-ethylpentan-1-amine;1-ethylpiperidine;3-imidazol-1-ylpropan-1-amine;methane;1-methyl-2-propylpyrrolidine;2-piperidin-1-ylethanol;4-propylmorpholine;bis(1-propylpiperidine);2-propylpyridine;1-propylpyrrolidine;N,N',N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 157162605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).