N-(1H-imidazol-2-ylmethyl)-2-propylcyclohexan-1-amine;hydrochloride

C13H24ClN3 — CID 115618879

IUPACN-(1H-imidazol-2-ylmethyl)-2-propylcyclohexan-1-amine;hydrochloride
SMILESCCCC1CCCCC1NCc1ncc[nH]1.Cl
InChIInChI=1S/C13H23N3.ClH/c1-2-5-11-6-3-4-7-12(11)16-10-13-14-8-9-15-13;/h8-9,11-12,16H,2-7,10H2,1H3,(H,14,15);1H
InChIKeyPBXRBZZETVZWJJ-UHFFFAOYSA-N
MW257.81 g/mol
LogP3.28
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-2-propylcyclohexan-1-amine;hydrochloride

N-(1H-imidazol-2-ylmethyl)-2-propylcyclohexan-1-amine;hydrochloride (PubChem CID 115618879) has the molecular formula C13H24ClN3 and a molecular weight of 257.81 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2-propylcyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2-propylcyclohexan-1-amine;hydrochloride
PubChem CID115618879
Molecular FormulaC13H24ClN3
Molecular Weight257.81 g/mol
Exact Mass257.17
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2-propylcyclohexan-1-amine;hydrochloride
SMILESCCCC1CCCCC1NCc1ncc[nH]1.Cl
InChIInChI=1S/C13H23N3.ClH/c1-2-5-11-6-3-4-7-12(11)16-10-13-14-8-9-15-13;/h8-9,11-12,16H,2-7,10H2,1H3,(H,14,15);1H
InChIKeyPBXRBZZETVZWJJ-UHFFFAOYSA-N
XLogP3.28
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.81
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-propylcyclohexan-1-amine;hydrochloride?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-propylcyclohexan-1-amine;hydrochloride (CID 115618879) is N-(1H-imidazol-2-ylmethyl)-2-propylcyclohexan-1-amine;hydrochloride.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2-propylcyclohexan-1-amine;hydrochloride?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2-propylcyclohexan-1-amine;hydrochloride is CCCC1CCCCC1NCc1ncc[nH]1.Cl.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2-propylcyclohexan-1-amine;hydrochloride?
The InChIKey is PBXRBZZETVZWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3.ClH/c1-2-5-11-6-3-4-7-12(11)16-10-13-14-8-9-15-13;/h8-9,11-12,16H,2-7,10H2,1H3,(H,14,15);1H.
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2-propylcyclohexan-1-amine;hydrochloride?
N-(1H-imidazol-2-ylmethyl)-2-propylcyclohexan-1-amine;hydrochloride has a molecular weight of 257.81 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-2-propylcyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 115618879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).