1-benzyl-2-cyclopropylcyclopropan-1-amine

C13H17N — CID 84661114

IUPAC1-benzyl-2-cyclopropylcyclopropan-1-amine
SMILESNC1(Cc2ccccc2)CC1C1CC1
InChIInChI=1S/C13H17N/c14-13(9-12(13)11-6-7-11)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9,14H2
InChIKeyJNFKYYWBFYMEJW-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.36
Rot. Bonds3

About 1-benzyl-2-cyclopropylcyclopropan-1-amine

1-benzyl-2-cyclopropylcyclopropan-1-amine (PubChem CID 84661114) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-benzyl-2-cyclopropylcyclopropan-1-amine.

Molecular Properties

Compound Name1-benzyl-2-cyclopropylcyclopropan-1-amine
PubChem CID84661114
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1-benzyl-2-cyclopropylcyclopropan-1-amine
SMILESNC1(Cc2ccccc2)CC1C1CC1
InChIInChI=1S/C13H17N/c14-13(9-12(13)11-6-7-11)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9,14H2
InChIKeyJNFKYYWBFYMEJW-UHFFFAOYSA-N
XLogP2.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-benzyl-2-cyclopropylcyclopropan-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-benzyl-2-cyclopropylcyclopropan-1-amine?
The IUPAC name of 1-benzyl-2-cyclopropylcyclopropan-1-amine (CID 84661114) is 1-benzyl-2-cyclopropylcyclopropan-1-amine.
What is the SMILES notation for 1-benzyl-2-cyclopropylcyclopropan-1-amine?
The canonical SMILES for 1-benzyl-2-cyclopropylcyclopropan-1-amine is NC1(Cc2ccccc2)CC1C1CC1.
What is the InChIKey of 1-benzyl-2-cyclopropylcyclopropan-1-amine?
The InChIKey is JNFKYYWBFYMEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c14-13(9-12(13)11-6-7-11)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9,14H2.
What are the key properties of 1-benzyl-2-cyclopropylcyclopropan-1-amine?
1-benzyl-2-cyclopropylcyclopropan-1-amine has a molecular weight of 187.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-cyclopropylcyclopropan-1-amine is sourced from PubChem (CID 84661114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).