N-[(2-cyclopropylphenyl)methyl]cyclohex-3-en-1-amine

C16H21N — CID 79889980

IUPACN-[(2-cyclopropylphenyl)methyl]cyclohex-3-en-1-amine
SMILESC1=CCC(NCc2ccccc2C2CC2)CC1
InChIInChI=1S/C16H21N/c1-2-7-15(8-3-1)17-12-14-6-4-5-9-16(14)13-10-11-13/h1-2,4-6,9,13,15,17H,3,7-8,10-12H2
InChIKeyWDTKCXFJOXTIOK-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.76
Rot. Bonds4

About N-[(2-cyclopropylphenyl)methyl]cyclohex-3-en-1-amine

N-[(2-cyclopropylphenyl)methyl]cyclohex-3-en-1-amine (PubChem CID 79889980) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[(2-cyclopropylphenyl)methyl]cyclohex-3-en-1-amine.

Molecular Properties

Compound NameN-[(2-cyclopropylphenyl)methyl]cyclohex-3-en-1-amine
PubChem CID79889980
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC NameN-[(2-cyclopropylphenyl)methyl]cyclohex-3-en-1-amine
SMILESC1=CCC(NCc2ccccc2C2CC2)CC1
InChIInChI=1S/C16H21N/c1-2-7-15(8-3-1)17-12-14-6-4-5-9-16(14)13-10-11-13/h1-2,4-6,9,13,15,17H,3,7-8,10-12H2
InChIKeyWDTKCXFJOXTIOK-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(2-cyclopropylphenyl)methyl]cyclohex-3-en-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

1-cyclohex-3-en-1-yl-N-[(2-cyclopropylphenyl)methyl]methanamine
CID 79979311
N-[(2-cyclopropylphenyl)methyl]thiolan-3-amine
CID 103739395
N-[(3-chloro-2-fluorophenyl)methyl]cyclohex-3-en-1-amine
CID 115696005
2-[(cyclohex-3-en-1-ylamino)methyl]-6-methylphenol
CID 112554896
N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 79883117
N-[(2-cyclopropylphenyl)methyl]-2-methylpropan-2-amine
CID 79888960
2-(2-cyclohex-3-en-1-ylphenyl)acetic acid
CID 171363878
N-[[(1S,8R)-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methyl]cyclopropanamine
CID 86346155
3-[(2-cyclopropylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 114629076
N-[(2-cyclopropylphenyl)methyl]-1-ethoxypropan-2-amine
CID 79889217
N-[(2-cyclopropylphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79984326
3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrrolidin-2-one
CID 103739369

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropylphenyl)methyl]cyclohex-3-en-1-amine?
The IUPAC name of N-[(2-cyclopropylphenyl)methyl]cyclohex-3-en-1-amine (CID 79889980) is N-[(2-cyclopropylphenyl)methyl]cyclohex-3-en-1-amine.
What is the SMILES notation for N-[(2-cyclopropylphenyl)methyl]cyclohex-3-en-1-amine?
The canonical SMILES for N-[(2-cyclopropylphenyl)methyl]cyclohex-3-en-1-amine is C1=CCC(NCc2ccccc2C2CC2)CC1.
What is the InChIKey of N-[(2-cyclopropylphenyl)methyl]cyclohex-3-en-1-amine?
The InChIKey is WDTKCXFJOXTIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-2-7-15(8-3-1)17-12-14-6-4-5-9-16(14)13-10-11-13/h1-2,4-6,9,13,15,17H,3,7-8,10-12H2.
What are the key properties of N-[(2-cyclopropylphenyl)methyl]cyclohex-3-en-1-amine?
N-[(2-cyclopropylphenyl)methyl]cyclohex-3-en-1-amine has a molecular weight of 227.35 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropylphenyl)methyl]cyclohex-3-en-1-amine is sourced from PubChem (CID 79889980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).