1-methyl-N-pentan-3-ylazepan-4-amine

C12H26N2 — CID 65070836

IUPAC1-methyl-N-pentan-3-ylazepan-4-amine
SMILESCCC(CC)NC1CCCN(C)CC1
InChIInChI=1S/C12H26N2/c1-4-11(5-2)13-12-7-6-9-14(3)10-8-12/h11-13H,4-10H2,1-3H3
InChIKeyLWLNUOKHEMQCFG-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.25
Rot. Bonds4

About 1-methyl-N-pentan-3-ylazepan-4-amine

1-methyl-N-pentan-3-ylazepan-4-amine (PubChem CID 65070836) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-methyl-N-pentan-3-ylazepan-4-amine.

Molecular Properties

Compound Name1-methyl-N-pentan-3-ylazepan-4-amine
PubChem CID65070836
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-methyl-N-pentan-3-ylazepan-4-amine
SMILESCCC(CC)NC1CCCN(C)CC1
InChIInChI=1S/C12H26N2/c1-4-11(5-2)13-12-7-6-9-14(3)10-8-12/h11-13H,4-10H2,1-3H3
InChIKeyLWLNUOKHEMQCFG-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-(3-methylpentan-2-yl)azepan-4-amine
CID 65070746
1-methyl-N-octan-4-ylazepan-4-amine
CID 113340340
N-pentan-3-yl-1-propan-2-ylazepan-4-amine
CID 65072876
3-[(1-methylpiperidin-4-yl)amino]pentanenitrile
CID 43373491
N-heptan-4-yl-1-methylpiperidin-4-amine
CID 43373353
N-(1-ethoxypropan-2-yl)-1-methylazepan-4-amine
CID 65070598
1-methyl-N-octan-4-ylpiperidin-4-amine
CID 103776296
N-cyclopropyl-1-methylazepan-4-amine
CID 65071330
N-butan-2-yl-1-methylpiperidin-3-amine
CID 61211214
N-(1-methoxy-3-methylbutan-2-yl)-1-methylazepan-4-amine
CID 65075295
N,1-dimethylazepan-4-amine;molecular hydrogen
CID 156821685
1-ethyl-N-(1-methoxybutan-2-yl)azepan-4-amine
CID 65078446

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-pentan-3-ylazepan-4-amine?
The IUPAC name of 1-methyl-N-pentan-3-ylazepan-4-amine (CID 65070836) is 1-methyl-N-pentan-3-ylazepan-4-amine.
What is the SMILES notation for 1-methyl-N-pentan-3-ylazepan-4-amine?
The canonical SMILES for 1-methyl-N-pentan-3-ylazepan-4-amine is CCC(CC)NC1CCCN(C)CC1.
What is the InChIKey of 1-methyl-N-pentan-3-ylazepan-4-amine?
The InChIKey is LWLNUOKHEMQCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-11(5-2)13-12-7-6-9-14(3)10-8-12/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-methyl-N-pentan-3-ylazepan-4-amine?
1-methyl-N-pentan-3-ylazepan-4-amine has a molecular weight of 198.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-pentan-3-ylazepan-4-amine is sourced from PubChem (CID 65070836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).