N-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine

C13H19N — CID 103735802

IUPACN-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine
SMILESCC1(CNCc2ccccc2)CCC1
InChIInChI=1S/C13H19N/c1-13(8-5-9-13)11-14-10-12-6-3-2-4-7-12/h2-4,6-7,14H,5,8-11H2,1H3
InChIKeyMQSNXTQUOUTQHH-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.97
Rot. Bonds4

About N-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine

N-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine (PubChem CID 103735802) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine
PubChem CID103735802
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine
SMILESCC1(CNCc2ccccc2)CCC1
InChIInChI=1S/C13H19N/c1-13(8-5-9-13)11-14-10-12-6-3-2-4-7-12/h2-4,6-7,14H,5,8-11H2,1H3
InChIKeyMQSNXTQUOUTQHH-UHFFFAOYSA-N
XLogP2.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetic acid
CID 114108521
N-[(1-methylcyclopentyl)methyl]-1-pyridin-3-ylmethanamine
CID 63822892
1-(4-cyclopropylphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 79984608
2-[[(1-methylcyclobutyl)methylamino]methyl]phenol;hydrochloride
CID 115680456
1-(4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724392
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 106813128
1-(2-bromophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735964
1-[(benzylamino)methyl]-N-methylcyclohexan-1-amine
CID 130573796
N-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetamide
CID 103735819
1-(4-ethoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63822889
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694
N-[(1-methylcyclobutyl)methyl]-1-thiophen-3-ylmethanamine;hydrochloride
CID 115680477

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine (CID 103735802) is N-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine is CC1(CNCc2ccccc2)CCC1.
What is the InChIKey of N-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine?
The InChIKey is MQSNXTQUOUTQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-13(8-5-9-13)11-14-10-12-6-3-2-4-7-12/h2-4,6-7,14H,5,8-11H2,1H3.
What are the key properties of N-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine?
N-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine has a molecular weight of 189.30 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 103735802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).