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

N-Methylbenzylamine
CID 7669
Benzyltrimethylammonium chloride
CID 5963
N-Methylbenzeneethanamine
CID 11503
N,N-Dimethylbenzylamine
CID 7681
Benzyltrimethylammonium hydroxide
CID 66854
N-Benzylphenethylamine
CID 65055
N-Ethylamphetamine
CID 9982
N-ethyl-1-phenylcyclohexanamine
CID 16622
Dibenzylamine
CID 7656
Benzyl triethylammonium chloride
CID 66133
Isopropylbenzylamine
CID 66024
N-benzyl-N-methyl-1-phenylmethanamine
CID 21583

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).