2-(azepan-1-yl)-N-(2-methylpropyl)butan-1-amine

C14H30N2 — CID 62437423

IUPAC2-(azepan-1-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCCC(CNCC(C)C)N1CCCCCC1
InChIInChI=1S/C14H30N2/c1-4-14(12-15-11-13(2)3)16-9-7-5-6-8-10-16/h13-15H,4-12H2,1-3H3
InChIKeyABDBUIABHFGUPP-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.89
Rot. Bonds6

About 2-(azepan-1-yl)-N-(2-methylpropyl)butan-1-amine

2-(azepan-1-yl)-N-(2-methylpropyl)butan-1-amine (PubChem CID 62437423) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(2-methylpropyl)butan-1-amine
PubChem CID62437423
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-(azepan-1-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCCC(CNCC(C)C)N1CCCCCC1
InChIInChI=1S/C14H30N2/c1-4-14(12-15-11-13(2)3)16-9-7-5-6-8-10-16/h13-15H,4-12H2,1-3H3
InChIKeyABDBUIABHFGUPP-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)-2-(1,4-oxazepan-4-yl)butan-1-amine
CID 62972860
2-(4-tert-butylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 55194853
3-methyl-N-(2-pyrrolidin-1-ylbutyl)butan-2-amine
CID 115709196
N-(2-methylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 62425688
3-methyl-N-(2-pyrrolidin-1-ylbutyl)pentan-2-amine
CID 115709194
N-[2-(azocan-1-yl)butyl]cyclopropanamine
CID 62419227
2-(4-butan-2-ylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 83054308
N-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)butan-1-amine
CID 62437857
N-(2-methylpropyl)-2-morpholin-4-ylpentan-1-amine
CID 83042710
N-(1-cyclopropylpropan-2-yl)-2-pyrrolidin-1-ylbutan-1-amine
CID 115709200
N-[2-(2-ethylazepan-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine
CID 103227231
4-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 55070119

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-(azepan-1-yl)-N-(2-methylpropyl)butan-1-amine (CID 62437423) is 2-(azepan-1-yl)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-(azepan-1-yl)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-(azepan-1-yl)-N-(2-methylpropyl)butan-1-amine is CCC(CNCC(C)C)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is ABDBUIABHFGUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-14(12-15-11-13(2)3)16-9-7-5-6-8-10-16/h13-15H,4-12H2,1-3H3.
What are the key properties of 2-(azepan-1-yl)-N-(2-methylpropyl)butan-1-amine?
2-(azepan-1-yl)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 62437423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).