1-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine

C13H21N3 — CID 65071092

IUPAC1-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine
SMILESCN1CCCC(NCc2ccccn2)CC1
InChIInChI=1S/C13H21N3/c1-16-9-4-6-12(7-10-16)15-11-13-5-2-3-8-14-13/h2-3,5,8,12,15H,4,6-7,9-11H2,1H3
InChIKeyAYRLZPCUMWYMRR-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.66
Rot. Bonds3

About 1-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine

1-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine (PubChem CID 65071092) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine.

Molecular Properties

Compound Name1-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine
PubChem CID65071092
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine
SMILESCN1CCCC(NCc2ccccn2)CC1
InChIInChI=1S/C13H21N3/c1-16-9-4-6-12(7-10-16)15-11-13-5-2-3-8-14-13/h2-3,5,8,12,15H,4,6-7,9-11H2,1H3
InChIKeyAYRLZPCUMWYMRR-UHFFFAOYSA-N
XLogP1.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 65072640
ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
1-butyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 43748322
1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 28731283
1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]azepan-4-amine
CID 65069995
oxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine
CID 17052919
4-methyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
CID 65080736
4-tert-butyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
CID 65090954
cyclopropyl-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methanone
CID 43434771
1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-amine
CID 65070599
N-[(1-methylimidazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 100675626
1-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]azepan-4-amine
CID 65070198

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine?
The IUPAC name of 1-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine (CID 65071092) is 1-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine.
What is the SMILES notation for 1-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine?
The canonical SMILES for 1-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine is CN1CCCC(NCc2ccccn2)CC1.
What is the InChIKey of 1-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine?
The InChIKey is AYRLZPCUMWYMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-16-9-4-6-12(7-10-16)15-11-13-5-2-3-8-14-13/h2-3,5,8,12,15H,4,6-7,9-11H2,1H3.
What are the key properties of 1-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine?
1-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine has a molecular weight of 219.33 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine is sourced from PubChem (CID 65071092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).