N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-cyclopropylcyclohexan-1-amine

C18H25N — CID 64623153

IUPACN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-cyclopropylcyclohexan-1-amine
SMILESc1ccc2c(c1)CC2CNC1CCCC(C2CC2)C1
InChIInChI=1S/C18H25N/c1-2-7-18-15(4-1)10-16(18)12-19-17-6-3-5-14(11-17)13-8-9-13/h1-2,4,7,13-14,16-17,19H,3,5-6,8-12H2
InChIKeyWUFGRJJUDBFGSN-UHFFFAOYSA-N
MW255.41 g/mol
LogP3.88
Rot. Bonds4

About N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-cyclopropylcyclohexan-1-amine

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-cyclopropylcyclohexan-1-amine (PubChem CID 64623153) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-cyclopropylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-cyclopropylcyclohexan-1-amine
PubChem CID64623153
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-cyclopropylcyclohexan-1-amine
SMILESc1ccc2c(c1)CC2CNC1CCCC(C2CC2)C1
InChIInChI=1S/C18H25N/c1-2-7-18-15(4-1)10-16(18)12-19-17-6-3-5-14(11-17)13-8-9-13/h1-2,4,7,13-14,16-17,19H,3,5-6,8-12H2
InChIKeyWUFGRJJUDBFGSN-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-cyclopropylcyclohexan-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

Related Compounds

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclopentanamine
CID 60815828
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 60815385
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)oxepan-4-amine
CID 65081954
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-methylazepan-4-amine
CID 65070385
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64752201
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentan-1-ol
CID 66396568
trans-(1R,2R)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentan-1-ol
CID 102733675
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylcyclopropan-1-amine
CID 66418322
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,1-dioxothiolan-3-amine
CID 60816010
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(4-chlorophenyl)cyclobutan-1-amine
CID 60816001
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentane-1-carbonitrile
CID 66397152
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopentylethanamine
CID 62633000

Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-cyclopropylcyclohexan-1-amine?
The IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-cyclopropylcyclohexan-1-amine (CID 64623153) is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-cyclopropylcyclohexan-1-amine.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-cyclopropylcyclohexan-1-amine?
The canonical SMILES for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-cyclopropylcyclohexan-1-amine is c1ccc2c(c1)CC2CNC1CCCC(C2CC2)C1.
What is the InChIKey of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-cyclopropylcyclohexan-1-amine?
The InChIKey is WUFGRJJUDBFGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-2-7-18-15(4-1)10-16(18)12-19-17-6-3-5-14(11-17)13-8-9-13/h1-2,4,7,13-14,16-17,19H,3,5-6,8-12H2.
What are the key properties of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-cyclopropylcyclohexan-1-amine?
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-cyclopropylcyclohexan-1-amine has a molecular weight of 255.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-cyclopropylcyclohexan-1-amine is sourced from PubChem (CID 64623153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).