1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine

C48H106N8O — CID 158621965

IUPAC1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine
SMILESCC(C)CN(C)C.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCN(C)CC1.CC(C)CN1CCNCC1.CC(C)CN1CCOCC1
InChIInChI=1S/C9H20N2.C9H19N.C8H18N2.C8H17NO.C8H17N.C6H15N/c1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-10-5-3-9-4-6-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)7-9-5-3-4-6-9;1-6(2)5-7(3)4/h9H,4-8H2,1-3H3;9H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;8H,3-7H2,1-2H3;8H,3-7H2,1-2H3;6H,5H2,1-4H3
InChIKeyHYCOGEBSYNTDNK-UHFFFAOYSA-N
MW811.43 g/mol
LogP7.48
Rot. Bonds12

About 1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine

1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine (PubChem CID 158621965) has the molecular formula C48H106N8O and a molecular weight of 811.43 g/mol. Its IUPAC name is 1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine
PubChem CID158621965
Molecular FormulaC48H106N8O
Molecular Weight811.43 g/mol
Exact Mass810.85
IUPAC Name1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine
SMILESCC(C)CN(C)C.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCN(C)CC1.CC(C)CN1CCNCC1.CC(C)CN1CCOCC1
InChIInChI=1S/C9H20N2.C9H19N.C8H18N2.C8H17NO.C8H17N.C6H15N/c1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-10-5-3-9-4-6-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)7-9-5-3-4-6-9;1-6(2)5-7(3)4/h9H,4-8H2,1-3H3;9H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;8H,3-7H2,1-2H3;8H,3-7H2,1-2H3;6H,5H2,1-4H3
InChIKeyHYCOGEBSYNTDNK-UHFFFAOYSA-N
XLogP7.48
TPSA43.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.43
LogP ≤ 57.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

4-(4-Methyl-2-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-yl)morpholine
CID 54485847
4-[3-(4-Methylpiperazin-1-yl)-3-piperazin-1-yl-2-piperidin-1-ylpyrrolidin-2-yl]morpholine
CID 91151109
2-(4-Methylpiperazin-1-yl)-3-piperazin-1-yl-3-piperidin-1-yl-2-pyrrolidin-1-ylmorpholine
CID 123334449
4-(4-Methylpiperazin-1-yl)morpholine;3-methylpiperidine;4-methylpiperidine
CID 143224692
4-Methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine
CID 144057730
ethane;4-[1-(2-methylpropyl)piperidin-4-yl]morpholine;piperidine;N,N,1-triethylpiperidin-4-amine
CID 145336541
Ethane;1-ethyl-4-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine;1-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine
CID 156885090
Ethane;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]piperazine
CID 156885685
methane;3-methylbutan-1-amine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperazine);N-(3-methylbutyl)piperidin-4-amine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine
CID 157192131
1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;(3R)-3-methylpiperidine
CID 157291544
ethane;methane;1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine
CID 157532905
1-Tert-butylpyrrolidine;tris(2-methylpropane);morpholine;piperazine;piperidine
CID 157537968

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine?
The IUPAC name of 1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine (CID 158621965) is 1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine.
What is the SMILES notation for 1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine?
The canonical SMILES for 1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine is CC(C)CN(C)C.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCN(C)CC1.CC(C)CN1CCNCC1.CC(C)CN1CCOCC1.
What is the InChIKey of 1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine?
The InChIKey is HYCOGEBSYNTDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.C9H19N.C8H18N2.C8H17NO.C8H17N.C6H15N/c1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-10-5-3-9-4-6-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)7-9-5-3-4-6-9;1-6(2)5-7(3)4/h9H,4-8H2,1-3H3;9H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;8H,3-7H2,1-2H3;8H,3-7H2,1-2H3;6H,5H2,1-4H3.
What are the key properties of 1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine?
1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine has a molecular weight of 811.43 g/mol, XLogP of 7.48, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine is sourced from PubChem (CID 158621965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).