5-[1-(2,4-dimethylpentan-3-yl)azepan-4-yl]pentan-2-amine

C18H38N2 — CID 129299595

IUPAC5-[1-(2,4-dimethylpentan-3-yl)azepan-4-yl]pentan-2-amine
SMILESCC(N)CCCC1CCCN(C(C(C)C)C(C)C)CC1
InChIInChI=1S/C18H38N2/c1-14(2)18(15(3)4)20-12-7-10-17(11-13-20)9-6-8-16(5)19/h14-18H,6-13,19H2,1-5H3
InChIKeyUPXKDPJBPOJNOV-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.29
Rot. Bonds7

About 5-[1-(2,4-dimethylpentan-3-yl)azepan-4-yl]pentan-2-amine

5-[1-(2,4-dimethylpentan-3-yl)azepan-4-yl]pentan-2-amine (PubChem CID 129299595) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 5-[1-(2,4-dimethylpentan-3-yl)azepan-4-yl]pentan-2-amine.

Molecular Properties

Compound Name5-[1-(2,4-dimethylpentan-3-yl)azepan-4-yl]pentan-2-amine
PubChem CID129299595
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name5-[1-(2,4-dimethylpentan-3-yl)azepan-4-yl]pentan-2-amine
SMILESCC(N)CCCC1CCCN(C(C(C)C)C(C)C)CC1
InChIInChI=1S/C18H38N2/c1-14(2)18(15(3)4)20-12-7-10-17(11-13-20)9-6-8-16(5)19/h14-18H,6-13,19H2,1-5H3
InChIKeyUPXKDPJBPOJNOV-UHFFFAOYSA-N
XLogP4.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1-methylpyrrolidin-3-yl)pentan-2-amine
CID 116925099
3-(1-propan-2-ylazepan-4-yl)propan-1-ol
CID 146561520
4-cyclobutylbutane-1,1-diamine
CID 90300630
4-cyclohexylbutane-1,1-diamine
CID 174921978
4-methylpentylcyclopentane
CID 523530
(2R)-4-cyclopropylbutan-2-amine
CID 95367313
(3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine
CID 164786402
[1-(3-aminobutan-2-yl)azepan-4-yl]methanol
CID 130671113
1-N-[(1-methylpiperidin-3-yl)methyl]pentane-1,4-diamine
CID 115203898
6-methyl-7-(4-propylpiperidin-1-yl)heptan-2-amine
CID 65295732
3-[2-[3-[2-(azetidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-1-propan-2-ylpiperidine
CID 146610244
O-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]hydroxylamine
CID 117126792

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,4-dimethylpentan-3-yl)azepan-4-yl]pentan-2-amine?
The IUPAC name of 5-[1-(2,4-dimethylpentan-3-yl)azepan-4-yl]pentan-2-amine (CID 129299595) is 5-[1-(2,4-dimethylpentan-3-yl)azepan-4-yl]pentan-2-amine.
What is the SMILES notation for 5-[1-(2,4-dimethylpentan-3-yl)azepan-4-yl]pentan-2-amine?
The canonical SMILES for 5-[1-(2,4-dimethylpentan-3-yl)azepan-4-yl]pentan-2-amine is CC(N)CCCC1CCCN(C(C(C)C)C(C)C)CC1.
What is the InChIKey of 5-[1-(2,4-dimethylpentan-3-yl)azepan-4-yl]pentan-2-amine?
The InChIKey is UPXKDPJBPOJNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-14(2)18(15(3)4)20-12-7-10-17(11-13-20)9-6-8-16(5)19/h14-18H,6-13,19H2,1-5H3.
What are the key properties of 5-[1-(2,4-dimethylpentan-3-yl)azepan-4-yl]pentan-2-amine?
5-[1-(2,4-dimethylpentan-3-yl)azepan-4-yl]pentan-2-amine has a molecular weight of 282.52 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,4-dimethylpentan-3-yl)azepan-4-yl]pentan-2-amine is sourced from PubChem (CID 129299595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).