N-(cyclohex-3-en-1-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine

C10H17N3 — CID 115601364

IUPACN-(cyclohex-3-en-1-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESC1=CCC(CNC2=NCCN2)CC1
InChIInChI=1S/C10H17N3/c1-2-4-9(5-3-1)8-13-10-11-6-7-12-10/h1-2,9H,3-8H2,(H2,11,12,13)
InChIKeyVKAYTKCVSPALAJ-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.89
Rot. Bonds2

About N-(cyclohex-3-en-1-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine

N-(cyclohex-3-en-1-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 115601364) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID115601364
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESC1=CCC(CNC2=NCCN2)CC1
InChIInChI=1S/C10H17N3/c1-2-4-9(5-3-1)8-13-10-11-6-7-12-10/h1-2,9H,3-8H2,(H2,11,12,13)
InChIKeyVKAYTKCVSPALAJ-UHFFFAOYSA-N
XLogP0.89
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(cyclohex-3-en-1-ylmethyl)-4,5-dihydro-1H-imidazol-2-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

2-(cyclohex-2-en-1-ylmethyl)-4,5-dihydro-1H-imidazole
CID 19790568
5-(cyclohex-3-en-1-ylmethyl)-4,5-dihydro-1H-imidazole
CID 89257746
6-Chloro-2-cyclohex-2-en-1-yl-4-cyclohex-3-en-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163776105
2-cyclohex-3-en-1-yl-4-N,4-N-dimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine
CID 176537741
N-[2-(cyclohexen-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 11117858
5-Cyclohex-3-en-1-yl-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 79496582
5-Cyclohex-3-en-1-yl-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
CID 79498350
5-Cyclohex-3-en-1-yl-1-propan-2-yl-4,5-dihydroimidazol-2-amine
CID 79509219
5-Cyclohex-3-en-1-yl-1-ethyl-4,5-dihydroimidazol-2-amine
CID 79509489
5-cyclohex-3-en-1-yl-4,5-dihydro-1H-imidazol-2-amine
CID 79509894
5-Cyclohex-3-en-1-yl-1-propyl-4,5-dihydroimidazol-2-amine
CID 79510059
5-Cyclohex-3-en-1-yl-1-methyl-4,5-dihydroimidazol-2-amine
CID 79510237

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine (CID 115601364) is N-(cyclohex-3-en-1-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine is C1=CCC(CNC2=NCCN2)CC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is VKAYTKCVSPALAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-2-4-9(5-3-1)8-13-10-11-6-7-12-10/h1-2,9H,3-8H2,(H2,11,12,13).
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine?
N-(cyclohex-3-en-1-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 179.27 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 115601364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).