2-(azepan-1-yl)-2,5-dimethyl-N-propyloctan-3-amine

C19H40N2 — CID 79051683

IUPAC2-(azepan-1-yl)-2,5-dimethyl-N-propyloctan-3-amine
SMILESCCCNC(CC(C)CCC)C(C)(C)N1CCCCCC1
InChIInChI=1S/C19H40N2/c1-6-12-17(3)16-18(20-13-7-2)19(4,5)21-14-10-8-9-11-15-21/h17-18,20H,6-16H2,1-5H3
InChIKeyWZUKZZMIPGMBGH-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.84
Rot. Bonds9

About 2-(azepan-1-yl)-2,5-dimethyl-N-propyloctan-3-amine

2-(azepan-1-yl)-2,5-dimethyl-N-propyloctan-3-amine (PubChem CID 79051683) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 2-(azepan-1-yl)-2,5-dimethyl-N-propyloctan-3-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-2,5-dimethyl-N-propyloctan-3-amine
PubChem CID79051683
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name2-(azepan-1-yl)-2,5-dimethyl-N-propyloctan-3-amine
SMILESCCCNC(CC(C)CCC)C(C)(C)N1CCCCCC1
InChIInChI=1S/C19H40N2/c1-6-12-17(3)16-18(20-13-7-2)19(4,5)21-14-10-8-9-11-15-21/h17-18,20H,6-16H2,1-5H3
InChIKeyWZUKZZMIPGMBGH-UHFFFAOYSA-N
XLogP4.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2,5-dimethyl-2-pyrrolidin-1-yloctan-3-amine
CID 79055735
N,2,5-trimethyl-2-piperidin-1-yloctan-3-amine
CID 79045179
3-(azepan-1-yl)-1-cyclopropyl-3-methyl-N-propylbutan-2-amine
CID 79051842
3-methyl-N-propyl-3-pyrrolidin-1-ylheptan-4-amine
CID 79069357
2-methyl-6-methylsulfonyl-N-propyl-2-pyrrolidin-1-ylhexan-3-amine
CID 79045743
2-methoxy-2,5-dimethyl-N-propyloctan-3-amine
CID 79198397
N,5-diethyl-2-methyl-2-piperidin-1-ylheptan-3-amine
CID 82922639
2-methyl-2-piperidin-1-ylhexan-3-ol
CID 79045077
3-methyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79045291
4-methyl-4-piperidin-1-yl-N-propyl-1-thiophen-2-ylpentan-3-amine
CID 79052192
3-methoxy-3,6-dimethyl-N-propylnonan-4-amine
CID 116758239
N-ethyl-2-methyl-2-piperidin-1-yloctan-3-amine
CID 79045571

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-2,5-dimethyl-N-propyloctan-3-amine?
The IUPAC name of 2-(azepan-1-yl)-2,5-dimethyl-N-propyloctan-3-amine (CID 79051683) is 2-(azepan-1-yl)-2,5-dimethyl-N-propyloctan-3-amine.
What is the SMILES notation for 2-(azepan-1-yl)-2,5-dimethyl-N-propyloctan-3-amine?
The canonical SMILES for 2-(azepan-1-yl)-2,5-dimethyl-N-propyloctan-3-amine is CCCNC(CC(C)CCC)C(C)(C)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-2,5-dimethyl-N-propyloctan-3-amine?
The InChIKey is WZUKZZMIPGMBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-6-12-17(3)16-18(20-13-7-2)19(4,5)21-14-10-8-9-11-15-21/h17-18,20H,6-16H2,1-5H3.
What are the key properties of 2-(azepan-1-yl)-2,5-dimethyl-N-propyloctan-3-amine?
2-(azepan-1-yl)-2,5-dimethyl-N-propyloctan-3-amine has a molecular weight of 296.54 g/mol, XLogP of 4.84, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-2,5-dimethyl-N-propyloctan-3-amine is sourced from PubChem (CID 79051683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).