3-(2-ethylazepan-1-yl)-N-methylbutan-2-amine

C13H28N2 — CID 104689505

IUPAC3-(2-ethylazepan-1-yl)-N-methylbutan-2-amine
SMILESCCC1CCCCCN1C(C)C(C)NC
InChIInChI=1S/C13H28N2/c1-5-13-9-7-6-8-10-15(13)12(3)11(2)14-4/h11-14H,5-10H2,1-4H3
InChIKeyWQZIGODBIFKJAJ-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.64
Rot. Bonds4

About 3-(2-ethylazepan-1-yl)-N-methylbutan-2-amine

3-(2-ethylazepan-1-yl)-N-methylbutan-2-amine (PubChem CID 104689505) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 3-(2-ethylazepan-1-yl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name3-(2-ethylazepan-1-yl)-N-methylbutan-2-amine
PubChem CID104689505
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name3-(2-ethylazepan-1-yl)-N-methylbutan-2-amine
SMILESCCC1CCCCCN1C(C)C(C)NC
InChIInChI=1S/C13H28N2/c1-5-13-9-7-6-8-10-15(13)12(3)11(2)14-4/h11-14H,5-10H2,1-4H3
InChIKeyWQZIGODBIFKJAJ-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylazepan-1-yl)-N,3-dimethylbutan-1-amine
CID 104692341
3-(2-ethylazepan-1-yl)-2-methyl-N-propylbutan-1-amine
CID 113441982
N-[3-(2-ethylpiperidin-1-yl)-2-methylbutyl]cyclopropanamine
CID 79408489
methyl 3-(2-ethylpiperidin-1-yl)-2-methylbutanoate
CID 79407214
3-(2-ethylpyrrolidin-1-yl)butan-2-amine
CID 61354577
N-[2-(2-ethylpiperidin-1-yl)propyl]-2-methylpropan-1-amine
CID 62417609
N-tert-butyl-3-(2-ethylazepan-1-yl)butan-1-amine
CID 104692382
2-(2-ethylpiperidin-1-yl)propanoic acid
CID 20985444
N-ethyl-3-(2-ethylpiperidin-1-yl)butan-1-amine
CID 62421039
2-(2-ethylazepan-1-yl)-N-prop-2-enylpropan-1-amine
CID 104692402
N-[2-(2-ethylazepan-1-yl)butyl]cyclopropanamine
CID 113441989
2-(2-ethylazepan-1-yl)-4,4-dimethylpentan-1-amine
CID 104689222

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylazepan-1-yl)-N-methylbutan-2-amine?
The IUPAC name of 3-(2-ethylazepan-1-yl)-N-methylbutan-2-amine (CID 104689505) is 3-(2-ethylazepan-1-yl)-N-methylbutan-2-amine.
What is the SMILES notation for 3-(2-ethylazepan-1-yl)-N-methylbutan-2-amine?
The canonical SMILES for 3-(2-ethylazepan-1-yl)-N-methylbutan-2-amine is CCC1CCCCCN1C(C)C(C)NC.
What is the InChIKey of 3-(2-ethylazepan-1-yl)-N-methylbutan-2-amine?
The InChIKey is WQZIGODBIFKJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-13-9-7-6-8-10-15(13)12(3)11(2)14-4/h11-14H,5-10H2,1-4H3.
What are the key properties of 3-(2-ethylazepan-1-yl)-N-methylbutan-2-amine?
3-(2-ethylazepan-1-yl)-N-methylbutan-2-amine has a molecular weight of 212.38 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylazepan-1-yl)-N-methylbutan-2-amine is sourced from PubChem (CID 104689505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).