1-[2-(azepan-1-yl)-4-pyridinyl]-N-[(2-methylphenyl)methyl]methanamine

C20H27N3 — CID 163367035

IUPAC1-[2-(azepan-1-yl)-4-pyridinyl]-N-[(2-methylphenyl)methyl]methanamine
SMILESCc1ccccc1CNCc1ccnc(N2CCCCCC2)c1
InChIInChI=1S/C20H27N3/c1-17-8-4-5-9-19(17)16-21-15-18-10-11-22-20(14-18)23-12-6-2-3-7-13-23/h4-5,8-11,14,21H,2-3,6-7,12-13,15-16H2,1H3
InChIKeyUTHDCAPNOMEORY-UHFFFAOYSA-N
MW309.46 g/mol
LogP4.06
Rot. Bonds5

About 1-[2-(azepan-1-yl)-4-pyridinyl]-N-[(2-methylphenyl)methyl]methanamine

1-[2-(azepan-1-yl)-4-pyridinyl]-N-[(2-methylphenyl)methyl]methanamine (PubChem CID 163367035) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is 1-[2-(azepan-1-yl)-4-pyridinyl]-N-[(2-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-(azepan-1-yl)-4-pyridinyl]-N-[(2-methylphenyl)methyl]methanamine
PubChem CID163367035
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC Name1-[2-(azepan-1-yl)-4-pyridinyl]-N-[(2-methylphenyl)methyl]methanamine
SMILESCc1ccccc1CNCc1ccnc(N2CCCCCC2)c1
InChIInChI=1S/C20H27N3/c1-17-8-4-5-9-19(17)16-21-15-18-10-11-22-20(14-18)23-12-6-2-3-7-13-23/h4-5,8-11,14,21H,2-3,6-7,12-13,15-16H2,1H3
InChIKeyUTHDCAPNOMEORY-UHFFFAOYSA-N
XLogP4.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxy-6-methylphenyl)methyl]-1-(2-piperidin-1-yl-4-pyridinyl)methanamine
CID 163366731
1-[2-(azepan-1-yl)-4-pyridinyl]-N-[(2,3-diethoxyphenyl)methyl]methanamine
CID 163367052
1-[2-(azepan-1-yl)-4-pyridinyl]-N-(1H-indol-4-ylmethyl)methanamine
CID 119125461
1-[2-(azocan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62280361
N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propan-1-amine
CID 62285745
4-(azepan-1-yl)-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
CID 112889908
N-[(2,4-dimethoxyphenyl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine
CID 47030593
4-[[[2-(azepan-1-yl)-4-pyridinyl]methylamino]methyl]benzonitrile
CID 119125452
2-methoxy-5-[[(2-piperidin-1-yl-4-pyridinyl)methylamino]methyl]phenol
CID 163366722
1-(2-ethylphenyl)-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
CID 50830250
2-(2-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]acetamide
CID 32586117
1-(4,5-dimethylfuran-2-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine
CID 119040414

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azepan-1-yl)-4-pyridinyl]-N-[(2-methylphenyl)methyl]methanamine?
The IUPAC name of 1-[2-(azepan-1-yl)-4-pyridinyl]-N-[(2-methylphenyl)methyl]methanamine (CID 163367035) is 1-[2-(azepan-1-yl)-4-pyridinyl]-N-[(2-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-[2-(azepan-1-yl)-4-pyridinyl]-N-[(2-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-[2-(azepan-1-yl)-4-pyridinyl]-N-[(2-methylphenyl)methyl]methanamine is Cc1ccccc1CNCc1ccnc(N2CCCCCC2)c1.
What is the InChIKey of 1-[2-(azepan-1-yl)-4-pyridinyl]-N-[(2-methylphenyl)methyl]methanamine?
The InChIKey is UTHDCAPNOMEORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3/c1-17-8-4-5-9-19(17)16-21-15-18-10-11-22-20(14-18)23-12-6-2-3-7-13-23/h4-5,8-11,14,21H,2-3,6-7,12-13,15-16H2,1H3.
What are the key properties of 1-[2-(azepan-1-yl)-4-pyridinyl]-N-[(2-methylphenyl)methyl]methanamine?
1-[2-(azepan-1-yl)-4-pyridinyl]-N-[(2-methylphenyl)methyl]methanamine has a molecular weight of 309.46 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azepan-1-yl)-4-pyridinyl]-N-[(2-methylphenyl)methyl]methanamine is sourced from PubChem (CID 163367035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).