N-[cyclopropyl(phenyl)methyl]-2,3-dimethylbutan-1-amine

C16H25N — CID 64570466

IUPACN-[cyclopropyl(phenyl)methyl]-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)CNC(c1ccccc1)C1CC1
InChIInChI=1S/C16H25N/c1-12(2)13(3)11-17-16(15-9-10-15)14-7-5-4-6-8-14/h4-8,12-13,15-17H,9-11H2,1-3H3
InChIKeyRZYGHZGHNOWVEL-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.02
Rot. Bonds6

About N-[cyclopropyl(phenyl)methyl]-2,3-dimethylbutan-1-amine

N-[cyclopropyl(phenyl)methyl]-2,3-dimethylbutan-1-amine (PubChem CID 64570466) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-2,3-dimethylbutan-1-amine
PubChem CID64570466
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[cyclopropyl(phenyl)methyl]-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)CNC(c1ccccc1)C1CC1
InChIInChI=1S/C16H25N/c1-12(2)13(3)11-17-16(15-9-10-15)14-7-5-4-6-8-14/h4-8,12-13,15-17H,9-11H2,1-3H3
InChIKeyRZYGHZGHNOWVEL-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclopropyl-(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570678
N-[cyclopropyl(phenyl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63981486
1-cyclopropyl-2-[[cyclopropyl(phenyl)methyl]amino]ethanol
CID 63298552
3-[[cyclopropyl(phenyl)methyl]amino]-1,1,1-trifluoropropan-2-ol
CID 113350008
N-[cyclopropyl(phenyl)methyl]-2-ethylhexan-1-amine
CID 63420427
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
N-[cyclopropyl(phenyl)methyl]-7-methyloctan-1-amine
CID 63421172
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
N-[2-[[cyclopropyl(phenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 61313757
2-[[cyclopentyl(phenyl)methyl]amino]acetonitrile
CID 56785981
2-[[(S)-cyclopentyl(phenyl)methyl]amino]acetonitrile
CID 95619544
2-[[cyclopropyl(phenyl)methyl]amino]-N-methylacetamide
CID 60712191

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-2,3-dimethylbutan-1-amine?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-2,3-dimethylbutan-1-amine (CID 64570466) is N-[cyclopropyl(phenyl)methyl]-2,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-2,3-dimethylbutan-1-amine?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-2,3-dimethylbutan-1-amine is CC(C)C(C)CNC(c1ccccc1)C1CC1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-2,3-dimethylbutan-1-amine?
The InChIKey is RZYGHZGHNOWVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12(2)13(3)11-17-16(15-9-10-15)14-7-5-4-6-8-14/h4-8,12-13,15-17H,9-11H2,1-3H3.
What are the key properties of N-[cyclopropyl(phenyl)methyl]-2,3-dimethylbutan-1-amine?
N-[cyclopropyl(phenyl)methyl]-2,3-dimethylbutan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 64570466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).