N-[(6-methyl-3-pyridinyl)methyl]azepan-4-amine

C13H21N3 — CID 103982082

IUPACN-[(6-methyl-3-pyridinyl)methyl]azepan-4-amine
SMILESCc1ccc(CNC2CCCNCC2)cn1
InChIInChI=1S/C13H21N3/c1-11-4-5-12(9-15-11)10-16-13-3-2-7-14-8-6-13/h4-5,9,13-14,16H,2-3,6-8,10H2,1H3
InChIKeyYSLFMRWTSKGHBS-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.62
Rot. Bonds3

About N-[(6-methyl-3-pyridinyl)methyl]azepan-4-amine

N-[(6-methyl-3-pyridinyl)methyl]azepan-4-amine (PubChem CID 103982082) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(6-methyl-3-pyridinyl)methyl]azepan-4-amine.

Molecular Properties

Compound NameN-[(6-methyl-3-pyridinyl)methyl]azepan-4-amine
PubChem CID103982082
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[(6-methyl-3-pyridinyl)methyl]azepan-4-amine
SMILESCc1ccc(CNC2CCCNCC2)cn1
InChIInChI=1S/C13H21N3/c1-11-4-5-12(9-15-11)10-16-13-3-2-7-14-8-6-13/h4-5,9,13-14,16H,2-3,6-8,10H2,1H3
InChIKeyYSLFMRWTSKGHBS-UHFFFAOYSA-N
XLogP1.62
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 43163855
4-tert-butyl-N-[(6-methyl-3-pyridinyl)methyl]cycloheptan-1-amine
CID 65089500
N-[(6-methyl-3-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79904034
N-(1H-pyrazol-4-ylmethyl)azepan-4-amine
CID 103981696
N-[(3,4-difluorophenyl)methyl]azepan-4-amine
CID 103981875
(3S)-N-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 81140194
N-[(6-methyl-3-pyridinyl)methyl]-1,1-dioxothiolan-3-amine
CID 62996716
N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepan-4-amine
CID 106369501
N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine
CID 71636466
N-[(3,4-dimethylphenyl)methyl]piperidin-4-amine
CID 83706075
(3S)-N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride
CID 71636461
(3S)-N-[(6-chloro-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride
CID 71639863

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]azepan-4-amine?
The IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]azepan-4-amine (CID 103982082) is N-[(6-methyl-3-pyridinyl)methyl]azepan-4-amine.
What is the SMILES notation for N-[(6-methyl-3-pyridinyl)methyl]azepan-4-amine?
The canonical SMILES for N-[(6-methyl-3-pyridinyl)methyl]azepan-4-amine is Cc1ccc(CNC2CCCNCC2)cn1.
What is the InChIKey of N-[(6-methyl-3-pyridinyl)methyl]azepan-4-amine?
The InChIKey is YSLFMRWTSKGHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-11-4-5-12(9-15-11)10-16-13-3-2-7-14-8-6-13/h4-5,9,13-14,16H,2-3,6-8,10H2,1H3.
What are the key properties of N-[(6-methyl-3-pyridinyl)methyl]azepan-4-amine?
N-[(6-methyl-3-pyridinyl)methyl]azepan-4-amine has a molecular weight of 219.33 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-3-pyridinyl)methyl]azepan-4-amine is sourced from PubChem (CID 103982082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).