1-methyl-N-(3-methylpentan-2-yl)azepan-4-amine

C13H28N2 — CID 65070746

IUPAC1-methyl-N-(3-methylpentan-2-yl)azepan-4-amine
SMILESCCC(C)C(C)NC1CCCN(C)CC1
InChIInChI=1S/C13H28N2/c1-5-11(2)12(3)14-13-7-6-9-15(4)10-8-13/h11-14H,5-10H2,1-4H3
InChIKeyKTEGRYZKQQNCIO-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds4

About 1-methyl-N-(3-methylpentan-2-yl)azepan-4-amine

1-methyl-N-(3-methylpentan-2-yl)azepan-4-amine (PubChem CID 65070746) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-methyl-N-(3-methylpentan-2-yl)azepan-4-amine.

Molecular Properties

Compound Name1-methyl-N-(3-methylpentan-2-yl)azepan-4-amine
PubChem CID65070746
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-methyl-N-(3-methylpentan-2-yl)azepan-4-amine
SMILESCCC(C)C(C)NC1CCCN(C)CC1
InChIInChI=1S/C13H28N2/c1-5-11(2)12(3)14-13-7-6-9-15(4)10-8-13/h11-14H,5-10H2,1-4H3
InChIKeyKTEGRYZKQQNCIO-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-pentan-3-ylazepan-4-amine
CID 65070836
N-(1-ethoxypropan-2-yl)-1-methylazepan-4-amine
CID 65070598
N-(1-methoxy-3-methylbutan-2-yl)-1-methylazepan-4-amine
CID 65075295
N-butan-2-yl-1-methylpiperidin-3-amine
CID 61211214
N-[1-(4-ethoxyphenyl)ethyl]-1-methylazepan-4-amine
CID 65070030
1-methyl-N-(4-methylheptan-3-yl)piperidin-4-amine
CID 115707671
1-methyl-N-octan-4-ylazepan-4-amine
CID 113340340
4-(3-methylpentan-2-ylamino)cyclohexan-1-ol
CID 43201193
2-methoxy-1-[4-(3-methylpentan-2-ylamino)piperidin-1-yl]ethanone
CID 43747506
N-(2-methoxypropyl)-1-methylazepan-4-amine
CID 102695962
N-cyclopropyl-1-methylazepan-4-amine
CID 65071330
N-[(1S)-1-cyclopentylethyl]-1-methylpiperidin-4-amine
CID 81386748

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methylpentan-2-yl)azepan-4-amine?
The IUPAC name of 1-methyl-N-(3-methylpentan-2-yl)azepan-4-amine (CID 65070746) is 1-methyl-N-(3-methylpentan-2-yl)azepan-4-amine.
What is the SMILES notation for 1-methyl-N-(3-methylpentan-2-yl)azepan-4-amine?
The canonical SMILES for 1-methyl-N-(3-methylpentan-2-yl)azepan-4-amine is CCC(C)C(C)NC1CCCN(C)CC1.
What is the InChIKey of 1-methyl-N-(3-methylpentan-2-yl)azepan-4-amine?
The InChIKey is KTEGRYZKQQNCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-11(2)12(3)14-13-7-6-9-15(4)10-8-13/h11-14H,5-10H2,1-4H3.
What are the key properties of 1-methyl-N-(3-methylpentan-2-yl)azepan-4-amine?
1-methyl-N-(3-methylpentan-2-yl)azepan-4-amine has a molecular weight of 212.38 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methylpentan-2-yl)azepan-4-amine is sourced from PubChem (CID 65070746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).