2-(3-cyclohex-3-en-1-ylimidazol-4-yl)propan-2-amine

C12H19N3 — CID 114706530

IUPAC2-(3-cyclohex-3-en-1-ylimidazol-4-yl)propan-2-amine
SMILESCC(C)(N)c1cncn1C1CC=CCC1
InChIInChI=1S/C12H19N3/c1-12(2,13)11-8-14-9-15(11)10-6-4-3-5-7-10/h3-4,8-10H,5-7,13H2,1-2H3
InChIKeyPTTHOAJWQQBISM-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.36
Rot. Bonds2

About 2-(3-cyclohex-3-en-1-ylimidazol-4-yl)propan-2-amine

2-(3-cyclohex-3-en-1-ylimidazol-4-yl)propan-2-amine (PubChem CID 114706530) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 2-(3-cyclohex-3-en-1-ylimidazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name2-(3-cyclohex-3-en-1-ylimidazol-4-yl)propan-2-amine
PubChem CID114706530
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name2-(3-cyclohex-3-en-1-ylimidazol-4-yl)propan-2-amine
SMILESCC(C)(N)c1cncn1C1CC=CCC1
InChIInChI=1S/C12H19N3/c1-12(2,13)11-8-14-9-15(11)10-6-4-3-5-7-10/h3-4,8-10H,5-7,13H2,1-2H3
InChIKeyPTTHOAJWQQBISM-UHFFFAOYSA-N
XLogP2.36
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(thian-3-yl)imidazol-4-yl]propan-2-amine
CID 114707847
2-(3-cyclohexylimidazol-4-yl)-N-methylpropan-2-amine
CID 114708042
2-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]propan-2-amine
CID 114706508
4-cyclohex-3-en-1-yl-1,2,4-triazole;ethane
CID 145406355
N-methyl-2-[3-(1-oxothian-4-yl)imidazol-4-yl]propan-2-amine
CID 114708440
(3-cyclopent-3-en-1-ylimidazol-4-yl)-(oxolan-3-yl)methanamine
CID 114722429
2-(3-pyridin-4-ylimidazol-4-yl)propan-2-amine
CID 114703697
3-amino-1-(3-cyclopropylimidazol-4-yl)-2,2-dimethylpropan-1-ol
CID 79126294
2-[3-(oxan-3-ylmethyl)imidazol-4-yl]propan-2-amine
CID 114704890
5-chloro-1-cyclopropylimidazole
CID 169168171
2-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-amine
CID 62710577
2-[3-(2-methylprop-2-enyl)imidazol-4-yl]propan-2-amine
CID 114707859

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohex-3-en-1-ylimidazol-4-yl)propan-2-amine?
The IUPAC name of 2-(3-cyclohex-3-en-1-ylimidazol-4-yl)propan-2-amine (CID 114706530) is 2-(3-cyclohex-3-en-1-ylimidazol-4-yl)propan-2-amine.
What is the SMILES notation for 2-(3-cyclohex-3-en-1-ylimidazol-4-yl)propan-2-amine?
The canonical SMILES for 2-(3-cyclohex-3-en-1-ylimidazol-4-yl)propan-2-amine is CC(C)(N)c1cncn1C1CC=CCC1.
What is the InChIKey of 2-(3-cyclohex-3-en-1-ylimidazol-4-yl)propan-2-amine?
The InChIKey is PTTHOAJWQQBISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-12(2,13)11-8-14-9-15(11)10-6-4-3-5-7-10/h3-4,8-10H,5-7,13H2,1-2H3.
What are the key properties of 2-(3-cyclohex-3-en-1-ylimidazol-4-yl)propan-2-amine?
2-(3-cyclohex-3-en-1-ylimidazol-4-yl)propan-2-amine has a molecular weight of 205.31 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohex-3-en-1-ylimidazol-4-yl)propan-2-amine is sourced from PubChem (CID 114706530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).