N-[2-[(4-cyclopropylphenyl)methylidene]butyl]cyclopropanamine

C17H23N — CID 79978516

IUPACN-[2-[(4-cyclopropylphenyl)methylidene]butyl]cyclopropanamine
SMILESCCC(=Cc1ccc(C2CC2)cc1)CNC1CC1
InChIInChI=1S/C17H23N/c1-2-13(12-18-17-9-10-17)11-14-3-5-15(6-4-14)16-7-8-16/h3-6,11,16-18H,2,7-10,12H2,1H3
InChIKeyCHYMDXAPORSWHY-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.11
Rot. Bonds6

About N-[2-[(4-cyclopropylphenyl)methylidene]butyl]cyclopropanamine

N-[2-[(4-cyclopropylphenyl)methylidene]butyl]cyclopropanamine (PubChem CID 79978516) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is N-[2-[(4-cyclopropylphenyl)methylidene]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(4-cyclopropylphenyl)methylidene]butyl]cyclopropanamine
PubChem CID79978516
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC NameN-[2-[(4-cyclopropylphenyl)methylidene]butyl]cyclopropanamine
SMILESCCC(=Cc1ccc(C2CC2)cc1)CNC1CC1
InChIInChI=1S/C17H23N/c1-2-13(12-18-17-9-10-17)11-14-3-5-15(6-4-14)16-7-8-16/h3-6,11,16-18H,2,7-10,12H2,1H3
InChIKeyCHYMDXAPORSWHY-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[2-[(4-cyclopropylphenyl)methylidene]butyl]cyclopropanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-benzylidenebutyl)cyclopropanamine
CID 79329807
N-[2-[(4-phenylphenyl)methylidene]butyl]cyclopropanamine
CID 79329058
N-[2-[(4-propoxyphenyl)methylidene]butyl]cyclopropanamine
CID 79329584
N-[2-[(3-fluoro-4-methylphenyl)methylidene]butyl]cyclopropanamine
CID 79329589
N-[(2Z)-2-[(3-chloro-4-fluorophenyl)methylidene]butyl]cyclopropanamine
CID 81156213
N-[(2Z)-2-[(4-bromo-3-fluorophenyl)methylidene]butyl]cyclopropanamine
CID 81441146
N-[(2Z)-2-[(2-methylquinolin-6-yl)methylidene]butyl]cyclopropanamine
CID 105379766
N-[2-[(2,3-dimethylphenyl)methylidene]butyl]cyclopropanamine
CID 79328889
2-[(3-cyclopropylphenyl)methylidene]-N-methylbutan-1-amine
CID 79977678
N-[(2Z)-2-[(5-bromo-2-chlorophenyl)methylidene]butyl]cyclopropanamine
CID 114077256
N-[2-(quinoxalin-2-ylmethylidene)butyl]cyclopropanamine
CID 79330116
N-[2-[(2-prop-2-enoxyphenyl)methylidene]butyl]cyclopropanamine
CID 79330119

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-cyclopropylphenyl)methylidene]butyl]cyclopropanamine?
The IUPAC name of N-[2-[(4-cyclopropylphenyl)methylidene]butyl]cyclopropanamine (CID 79978516) is N-[2-[(4-cyclopropylphenyl)methylidene]butyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(4-cyclopropylphenyl)methylidene]butyl]cyclopropanamine?
The canonical SMILES for N-[2-[(4-cyclopropylphenyl)methylidene]butyl]cyclopropanamine is CCC(=Cc1ccc(C2CC2)cc1)CNC1CC1.
What is the InChIKey of N-[2-[(4-cyclopropylphenyl)methylidene]butyl]cyclopropanamine?
The InChIKey is CHYMDXAPORSWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-2-13(12-18-17-9-10-17)11-14-3-5-15(6-4-14)16-7-8-16/h3-6,11,16-18H,2,7-10,12H2,1H3.
What are the key properties of N-[2-[(4-cyclopropylphenyl)methylidene]butyl]cyclopropanamine?
N-[2-[(4-cyclopropylphenyl)methylidene]butyl]cyclopropanamine has a molecular weight of 241.38 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-cyclopropylphenyl)methylidene]butyl]cyclopropanamine is sourced from PubChem (CID 79978516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).