3-(4,4-dimethylazepan-1-yl)-N-methylheptan-4-amine

C16H34N2 — CID 65281323

IUPAC3-(4,4-dimethylazepan-1-yl)-N-methylheptan-4-amine
SMILESCCCC(NC)C(CC)N1CCCC(C)(C)CC1
InChIInChI=1S/C16H34N2/c1-6-9-14(17-5)15(7-2)18-12-8-10-16(3,4)11-13-18/h14-15,17H,6-13H2,1-5H3
InChIKeyWPELEIVULTWFFA-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds6

About 3-(4,4-dimethylazepan-1-yl)-N-methylheptan-4-amine

3-(4,4-dimethylazepan-1-yl)-N-methylheptan-4-amine (PubChem CID 65281323) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 3-(4,4-dimethylazepan-1-yl)-N-methylheptan-4-amine.

Molecular Properties

Compound Name3-(4,4-dimethylazepan-1-yl)-N-methylheptan-4-amine
PubChem CID65281323
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name3-(4,4-dimethylazepan-1-yl)-N-methylheptan-4-amine
SMILESCCCC(NC)C(CC)N1CCCC(C)(C)CC1
InChIInChI=1S/C16H34N2/c1-6-9-14(17-5)15(7-2)18-12-8-10-16(3,4)11-13-18/h14-15,17H,6-13H2,1-5H3
InChIKeyWPELEIVULTWFFA-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-tert-butylpiperidin-1-yl)-N-methylheptan-4-amine
CID 63468032
3-(4-ethyl-4-methylpiperidin-1-yl)-N-propylheptan-4-amine
CID 63468413
N-ethyl-3-(3-methoxy-3-methylpiperidin-1-yl)heptan-4-amine
CID 107391794
N-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)heptan-4-amine
CID 81199005
2-(4,4-dimethylpiperidin-1-yl)-N-methylpentan-1-amine
CID 83053930
4-(4,4-dimethylazepan-1-yl)-N-propylpentan-1-amine
CID 65286715
3,3-dimethyl-1-pentan-2-ylpiperidine
CID 59678340
N-[2-(4,4-dimethylazepan-1-yl)propyl]butan-1-amine
CID 65287018
N-[2-(4,4-dimethylazepan-1-yl)butyl]cyclopropanamine
CID 65287005
N-[2-(4,4-dimethylazepan-1-yl)-3-methylbutyl]cyclopropanamine
CID 65286954
4-methyl-1-pentan-2-ylazepan-4-ol
CID 107886062
2-(4,4-dimethylpiperidin-1-yl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 55155561

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylazepan-1-yl)-N-methylheptan-4-amine?
The IUPAC name of 3-(4,4-dimethylazepan-1-yl)-N-methylheptan-4-amine (CID 65281323) is 3-(4,4-dimethylazepan-1-yl)-N-methylheptan-4-amine.
What is the SMILES notation for 3-(4,4-dimethylazepan-1-yl)-N-methylheptan-4-amine?
The canonical SMILES for 3-(4,4-dimethylazepan-1-yl)-N-methylheptan-4-amine is CCCC(NC)C(CC)N1CCCC(C)(C)CC1.
What is the InChIKey of 3-(4,4-dimethylazepan-1-yl)-N-methylheptan-4-amine?
The InChIKey is WPELEIVULTWFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-9-14(17-5)15(7-2)18-12-8-10-16(3,4)11-13-18/h14-15,17H,6-13H2,1-5H3.
What are the key properties of 3-(4,4-dimethylazepan-1-yl)-N-methylheptan-4-amine?
3-(4,4-dimethylazepan-1-yl)-N-methylheptan-4-amine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylazepan-1-yl)-N-methylheptan-4-amine is sourced from PubChem (CID 65281323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).