2-(2-ethylazepan-1-yl)-N,3-dimethylbutan-1-amine

C14H30N2 — CID 104692341

IUPAC2-(2-ethylazepan-1-yl)-N,3-dimethylbutan-1-amine
SMILESCCC1CCCCCN1C(CNC)C(C)C
InChIInChI=1S/C14H30N2/c1-5-13-9-7-6-8-10-16(13)14(11-15-4)12(2)3/h12-15H,5-11H2,1-4H3
InChIKeyCBSRQQRUSSNQSQ-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds5

About 2-(2-ethylazepan-1-yl)-N,3-dimethylbutan-1-amine

2-(2-ethylazepan-1-yl)-N,3-dimethylbutan-1-amine (PubChem CID 104692341) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-(2-ethylazepan-1-yl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(2-ethylazepan-1-yl)-N,3-dimethylbutan-1-amine
PubChem CID104692341
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-(2-ethylazepan-1-yl)-N,3-dimethylbutan-1-amine
SMILESCCC1CCCCCN1C(CNC)C(C)C
InChIInChI=1S/C14H30N2/c1-5-13-9-7-6-8-10-16(13)14(11-15-4)12(2)3/h12-15H,5-11H2,1-4H3
InChIKeyCBSRQQRUSSNQSQ-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-ethylazepan-1-yl)-N-methylbutan-2-amine
CID 104689505
2-(3-ethylmorpholin-4-yl)-N,3-dimethylbutan-1-amine
CID 62432213
2-(2-ethylazepan-1-yl)-N-prop-2-enylpropan-1-amine
CID 104692402
N-[2-(2-ethylpiperidin-1-yl)propyl]-2-methylpropan-1-amine
CID 62417609
3-(2-ethylazepan-1-yl)-2-methyl-N-propylbutan-1-amine
CID 113441982
N-[2-(2-ethylazepan-1-yl)butyl]cyclopropanamine
CID 113441989
N-[3-(2-ethylpiperidin-1-yl)-2-methylbutyl]cyclopropanamine
CID 79408489
3-(2-ethylazepan-1-yl)-N-propylheptan-4-amine
CID 104689447
N-[2-(2-ethylazepan-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine
CID 103227231
1-(2-ethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119793413
N-tert-butyl-3-(2-ethylazepan-1-yl)butan-1-amine
CID 104692382
2-(2-ethylpiperidin-1-yl)propanoic acid
CID 20985444

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylazepan-1-yl)-N,3-dimethylbutan-1-amine?
The IUPAC name of 2-(2-ethylazepan-1-yl)-N,3-dimethylbutan-1-amine (CID 104692341) is 2-(2-ethylazepan-1-yl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(2-ethylazepan-1-yl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(2-ethylazepan-1-yl)-N,3-dimethylbutan-1-amine is CCC1CCCCCN1C(CNC)C(C)C.
What is the InChIKey of 2-(2-ethylazepan-1-yl)-N,3-dimethylbutan-1-amine?
The InChIKey is CBSRQQRUSSNQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-13-9-7-6-8-10-16(13)14(11-15-4)12(2)3/h12-15H,5-11H2,1-4H3.
What are the key properties of 2-(2-ethylazepan-1-yl)-N,3-dimethylbutan-1-amine?
2-(2-ethylazepan-1-yl)-N,3-dimethylbutan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylazepan-1-yl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 104692341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).