N-[(1-methylcyclobutyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine

C18H22N2 — CID 103949345

IUPACN-[(1-methylcyclobutyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
SMILESCC1(CNC(c2ccccc2)c2ccccn2)CCC1
InChIInChI=1S/C18H22N2/c1-18(11-7-12-18)14-20-17(15-8-3-2-4-9-15)16-10-5-6-13-19-16/h2-6,8-10,13,17,20H,7,11-12,14H2,1H3
InChIKeyPBRANGKLKYCTRQ-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.95
Rot. Bonds5

About N-[(1-methylcyclobutyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine

N-[(1-methylcyclobutyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine (PubChem CID 103949345) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[(1-methylcyclobutyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(1-methylcyclobutyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
PubChem CID103949345
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-[(1-methylcyclobutyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
SMILESCC1(CNC(c2ccccc2)c2ccccn2)CCC1
InChIInChI=1S/C18H22N2/c1-18(11-7-12-18)14-20-17(15-8-3-2-4-9-15)16-10-5-6-13-19-16/h2-6,8-10,13,17,20H,7,11-12,14H2,1H3
InChIKeyPBRANGKLKYCTRQ-UHFFFAOYSA-N
XLogP3.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methylthiolan-2-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
CID 80726511
1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine
CID 121413050
1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride
CID 121413049
N-[(2,2-dimethylcyclopropyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
CID 103949198
2-(2-methyl-1,3-dioxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 86791432
2-cyclopentyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 60921142
N'-[phenyl(pyridin-2-yl)methyl]propane-1,3-diamine
CID 60889324
2-ethylsulfonyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 103948036
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine
CID 42919824
N-[phenyl(pyridin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106209971
N-[(1R)-1-phenylethyl]-2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725829
5-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]pentan-1-amine
CID 104926413

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclobutyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine?
The IUPAC name of N-[(1-methylcyclobutyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine (CID 103949345) is N-[(1-methylcyclobutyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N-[(1-methylcyclobutyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine?
The canonical SMILES for N-[(1-methylcyclobutyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine is CC1(CNC(c2ccccc2)c2ccccn2)CCC1.
What is the InChIKey of N-[(1-methylcyclobutyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine?
The InChIKey is PBRANGKLKYCTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-18(11-7-12-18)14-20-17(15-8-3-2-4-9-15)16-10-5-6-13-19-16/h2-6,8-10,13,17,20H,7,11-12,14H2,1H3.
What are the key properties of N-[(1-methylcyclobutyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine?
N-[(1-methylcyclobutyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine has a molecular weight of 266.39 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclobutyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 103949345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).