2-[2-(2-ethylazepan-1-yl)ethyl]-4-methylpentan-1-amine

C16H34N2 — CID 113441769

IUPAC2-[2-(2-ethylazepan-1-yl)ethyl]-4-methylpentan-1-amine
SMILESCCC1CCCCCN1CCC(CN)CC(C)C
InChIInChI=1S/C16H34N2/c1-4-16-8-6-5-7-10-18(16)11-9-15(13-17)12-14(2)3/h14-16H,4-13,17H2,1-3H3
InChIKeyIPANFRYCUHKGGT-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.65
Rot. Bonds7

About 2-[2-(2-ethylazepan-1-yl)ethyl]-4-methylpentan-1-amine

2-[2-(2-ethylazepan-1-yl)ethyl]-4-methylpentan-1-amine (PubChem CID 113441769) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 2-[2-(2-ethylazepan-1-yl)ethyl]-4-methylpentan-1-amine.

Molecular Properties

Compound Name2-[2-(2-ethylazepan-1-yl)ethyl]-4-methylpentan-1-amine
PubChem CID113441769
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name2-[2-(2-ethylazepan-1-yl)ethyl]-4-methylpentan-1-amine
SMILESCCC1CCCCCN1CCC(CN)CC(C)C
InChIInChI=1S/C16H34N2/c1-4-16-8-6-5-7-10-18(16)11-9-15(13-17)12-14(2)3/h14-16H,4-13,17H2,1-3H3
InChIKeyIPANFRYCUHKGGT-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-ethylpiperidin-1-yl)-2-methylpentan-1-amine
CID 82016951
3-(2-ethylazepan-1-yl)propan-1-amine
CID 112545599
2-[(2-ethylazepan-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366456
4-(2-ethylazepan-1-yl)-N-propylbutan-2-amine
CID 104689484
5-(2-ethylpyrrolidin-1-yl)-2-methylpentan-1-amine
CID 82682659
4-(2-ethylpyrrolidin-1-yl)-2-methoxybutan-1-amine
CID 103152222
[(2R)-1-(3-methylbutyl)pyrrolidin-2-yl]methanamine
CID 93497649
2-amino-4-(2-ethylpiperidin-1-yl)butanoic acid
CID 63028622
N-[2-(2-ethylazepan-1-yl)ethyl]pentan-2-amine
CID 113442007
1-(2-ethylazepan-1-yl)-4-methoxy-4-methylpentan-3-amine
CID 114229188
6-(2-ethylpiperidin-1-yl)hexan-3-amine
CID 106799316
(2S)-2-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methylpentanamide;dihydrochloride
CID 119887846

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethylazepan-1-yl)ethyl]-4-methylpentan-1-amine?
The IUPAC name of 2-[2-(2-ethylazepan-1-yl)ethyl]-4-methylpentan-1-amine (CID 113441769) is 2-[2-(2-ethylazepan-1-yl)ethyl]-4-methylpentan-1-amine.
What is the SMILES notation for 2-[2-(2-ethylazepan-1-yl)ethyl]-4-methylpentan-1-amine?
The canonical SMILES for 2-[2-(2-ethylazepan-1-yl)ethyl]-4-methylpentan-1-amine is CCC1CCCCCN1CCC(CN)CC(C)C.
What is the InChIKey of 2-[2-(2-ethylazepan-1-yl)ethyl]-4-methylpentan-1-amine?
The InChIKey is IPANFRYCUHKGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-4-16-8-6-5-7-10-18(16)11-9-15(13-17)12-14(2)3/h14-16H,4-13,17H2,1-3H3.
What are the key properties of 2-[2-(2-ethylazepan-1-yl)ethyl]-4-methylpentan-1-amine?
2-[2-(2-ethylazepan-1-yl)ethyl]-4-methylpentan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethylazepan-1-yl)ethyl]-4-methylpentan-1-amine is sourced from PubChem (CID 113441769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).