1-benzyl-N-methylcyclobutan-1-amine

C12H17N — CID 89012773

IUPAC1-benzyl-N-methylcyclobutan-1-amine
SMILESCNC1(Cc2ccccc2)CCC1
InChIInChI=1S/C12H17N/c1-13-12(8-5-9-12)10-11-6-3-2-4-7-11/h2-4,6-7,13H,5,8-10H2,1H3
InChIKeyDAFOAGSGSVVJCH-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.37
Rot. Bonds3

About 1-benzyl-N-methylcyclobutan-1-amine

1-benzyl-N-methylcyclobutan-1-amine (PubChem CID 89012773) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 1-benzyl-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name1-benzyl-N-methylcyclobutan-1-amine
PubChem CID89012773
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name1-benzyl-N-methylcyclobutan-1-amine
SMILESCNC1(Cc2ccccc2)CCC1
InChIInChI=1S/C12H17N/c1-13-12(8-5-9-12)10-11-6-3-2-4-7-11/h2-4,6-7,13H,5,8-10H2,1H3
InChIKeyDAFOAGSGSVVJCH-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(benzylamino)methyl]-N-methylcyclohexan-1-amine
CID 130573796
N-methyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 82127246
1-[(3-chlorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 82128067
N-(1-benzylcyclopentyl)methanesulfonamide
CID 24840126
1-[(3-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 82129111
4-[[1-(methylamino)cyclopropyl]methyl]phenol
CID 83683246
1-benzyl-N-tert-butylcyclopropan-1-amine
CID 143056256
N-methyl-1-(2-phenylethyl)cyclopropan-1-amine
CID 83683099
(1-benzylcyclopentyl)urea
CID 86790395
1-[(3,4-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 94697451
N-(1-benzylcyclohexyl)-2-phenylacetamide
CID 84509764
benzyl 2-[1-(methylamino)cyclohexyl]acetate
CID 65240649

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methylcyclobutan-1-amine?
The IUPAC name of 1-benzyl-N-methylcyclobutan-1-amine (CID 89012773) is 1-benzyl-N-methylcyclobutan-1-amine.
What is the SMILES notation for 1-benzyl-N-methylcyclobutan-1-amine?
The canonical SMILES for 1-benzyl-N-methylcyclobutan-1-amine is CNC1(Cc2ccccc2)CCC1.
What is the InChIKey of 1-benzyl-N-methylcyclobutan-1-amine?
The InChIKey is DAFOAGSGSVVJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-13-12(8-5-9-12)10-11-6-3-2-4-7-11/h2-4,6-7,13H,5,8-10H2,1H3.
What are the key properties of 1-benzyl-N-methylcyclobutan-1-amine?
1-benzyl-N-methylcyclobutan-1-amine has a molecular weight of 175.28 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methylcyclobutan-1-amine is sourced from PubChem (CID 89012773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).