N-cyclohex-3-en-1-yl-4,5-dihydro-1H-imidazol-2-amine

C9H15N3 — CID 114400281

IUPACN-cyclohex-3-en-1-yl-4,5-dihydro-1H-imidazol-2-amine
SMILESC1=CCC(NC2=NCCN2)CC1
InChIInChI=1S/C9H15N3/c1-2-4-8(5-3-1)12-9-10-6-7-11-9/h1-2,8H,3-7H2,(H2,10,11,12)
InChIKeyMSWDUKHFEHWAAU-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.64
Rot. Bonds1

About N-cyclohex-3-en-1-yl-4,5-dihydro-1H-imidazol-2-amine

N-cyclohex-3-en-1-yl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 114400281) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID114400281
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-cyclohex-3-en-1-yl-4,5-dihydro-1H-imidazol-2-amine
SMILESC1=CCC(NC2=NCCN2)CC1
InChIInChI=1S/C9H15N3/c1-2-4-8(5-3-1)12-9-10-6-7-11-9/h1-2,8H,3-7H2,(H2,10,11,12)
InChIKeyMSWDUKHFEHWAAU-UHFFFAOYSA-N
XLogP0.64
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohex-3-en-1-yl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-cyclohex-3-en-1-yl-4,5-dihydro-1H-imidazol-2-amine (CID 114400281) is N-cyclohex-3-en-1-yl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-cyclohex-3-en-1-yl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-cyclohex-3-en-1-yl-4,5-dihydro-1H-imidazol-2-amine is C1=CCC(NC2=NCCN2)CC1.
What is the InChIKey of N-cyclohex-3-en-1-yl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is MSWDUKHFEHWAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-2-4-8(5-3-1)12-9-10-6-7-11-9/h1-2,8H,3-7H2,(H2,10,11,12).
What are the key properties of N-cyclohex-3-en-1-yl-4,5-dihydro-1H-imidazol-2-amine?
N-cyclohex-3-en-1-yl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 165.24 g/mol, XLogP of 0.64, 1 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-yl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 114400281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).