1-[(R)-amino(phenyl)methyl]-N,N-dimethylcyclobutan-1-amine

C13H20N2 — CID 68559159

IUPAC1-[(R)-amino(phenyl)methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(C)C1([C@H](N)c2ccccc2)CCC1
InChIInChI=1S/C13H20N2/c1-15(2)13(9-6-10-13)12(14)11-7-4-3-5-8-11/h3-5,7-8,12H,6,9-10,14H2,1-2H3/t12-/m1/s1
InChIKeySTBIQXAACSLPDQ-GFCCVEGCSA-N
MW204.32 g/mol
LogP2.17
Rot. Bonds3

About 1-[(R)-amino(phenyl)methyl]-N,N-dimethylcyclobutan-1-amine

1-[(R)-amino(phenyl)methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 68559159) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-[(R)-amino(phenyl)methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[(R)-amino(phenyl)methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID68559159
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-[(R)-amino(phenyl)methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(C)C1([C@H](N)c2ccccc2)CCC1
InChIInChI=1S/C13H20N2/c1-15(2)13(9-6-10-13)12(14)11-7-4-3-5-8-11/h3-5,7-8,12H,6,9-10,14H2,1-2H3/t12-/m1/s1
InChIKeySTBIQXAACSLPDQ-GFCCVEGCSA-N
XLogP2.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(R)-amino(phenyl)methyl]-N,N-dimethylcyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-amino(phenyl)methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[(R)-amino(phenyl)methyl]-N,N-dimethylcyclobutan-1-amine (CID 68559159) is 1-[(R)-amino(phenyl)methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[(R)-amino(phenyl)methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[(R)-amino(phenyl)methyl]-N,N-dimethylcyclobutan-1-amine is CN(C)C1([C@H](N)c2ccccc2)CCC1.
What is the InChIKey of 1-[(R)-amino(phenyl)methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is STBIQXAACSLPDQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20N2/c1-15(2)13(9-6-10-13)12(14)11-7-4-3-5-8-11/h3-5,7-8,12H,6,9-10,14H2,1-2H3/t12-/m1/s1.
What are the key properties of 1-[(R)-amino(phenyl)methyl]-N,N-dimethylcyclobutan-1-amine?
1-[(R)-amino(phenyl)methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 204.32 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-amino(phenyl)methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 68559159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).