1-(7-bicyclo[4.1.0]heptanyl)-3-(1-methylimidazol-2-yl)propan-1-amine

C14H23N3 — CID 105050153

IUPAC1-(7-bicyclo[4.1.0]heptanyl)-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCn1ccnc1CCC(N)C1C2CCCCC21
InChIInChI=1S/C14H23N3/c1-17-9-8-16-13(17)7-6-12(15)14-10-4-2-3-5-11(10)14/h8-12,14H,2-7,15H2,1H3
InChIKeyFKHZIUPDXQNJLS-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.12
Rot. Bonds4

About 1-(7-bicyclo[4.1.0]heptanyl)-3-(1-methylimidazol-2-yl)propan-1-amine

1-(7-bicyclo[4.1.0]heptanyl)-3-(1-methylimidazol-2-yl)propan-1-amine (PubChem CID 105050153) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(7-bicyclo[4.1.0]heptanyl)-3-(1-methylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(7-bicyclo[4.1.0]heptanyl)-3-(1-methylimidazol-2-yl)propan-1-amine
PubChem CID105050153
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-(7-bicyclo[4.1.0]heptanyl)-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCn1ccnc1CCC(N)C1C2CCCCC21
InChIInChI=1S/C14H23N3/c1-17-9-8-16-13(17)7-6-12(15)14-10-4-2-3-5-11(10)14/h8-12,14H,2-7,15H2,1H3
InChIKeyFKHZIUPDXQNJLS-UHFFFAOYSA-N
XLogP2.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(7-bicyclo[4.1.0]heptanyl)-3-(1-methylimidazol-2-yl)propan-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-cyclopentyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530015
1-(6-bicyclo[3.1.0]hexanyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115837979
1-(4-ethylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530310
1-(2,3-dihydro-1H-inden-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530343
1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-amine
CID 103517203
2-(1-methylimidazol-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 105167192
[1-cycloheptyl-4-(1-methylimidazol-2-yl)butan-2-yl]hydrazine
CID 105340281
1-cyclopentyl-5-(1-methylimidazol-2-yl)pentan-3-ol
CID 115838050
1-cyclobutyl-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530243
[1-cyclohexyl-1-ethoxy-4-(1-methylimidazol-2-yl)butan-2-yl]hydrazine
CID 105278913
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
4-methyl-1-(1-methylimidazol-2-yl)-4-pyrrolidin-1-ylpentan-3-amine
CID 114530411

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-3-(1-methylimidazol-2-yl)propan-1-amine (CID 105050153) is 1-(7-bicyclo[4.1.0]heptanyl)-3-(1-methylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 1-(7-bicyclo[4.1.0]heptanyl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The canonical SMILES for 1-(7-bicyclo[4.1.0]heptanyl)-3-(1-methylimidazol-2-yl)propan-1-amine is Cn1ccnc1CCC(N)C1C2CCCCC21.
What is the InChIKey of 1-(7-bicyclo[4.1.0]heptanyl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The InChIKey is FKHZIUPDXQNJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-17-9-8-16-13(17)7-6-12(15)14-10-4-2-3-5-11(10)14/h8-12,14H,2-7,15H2,1H3.
What are the key properties of 1-(7-bicyclo[4.1.0]heptanyl)-3-(1-methylimidazol-2-yl)propan-1-amine?
1-(7-bicyclo[4.1.0]heptanyl)-3-(1-methylimidazol-2-yl)propan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.1.0]heptanyl)-3-(1-methylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 105050153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).