N-(1-imidazol-1-ylpropan-2-yl)-2-methoxycyclohexan-1-amine

C13H23N3O — CID 43792000

IUPACN-(1-imidazol-1-ylpropan-2-yl)-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1NC(C)Cn1ccnc1
InChIInChI=1S/C13H23N3O/c1-11(9-16-8-7-14-10-16)15-12-5-3-4-6-13(12)17-2/h7-8,10-13,15H,3-6,9H2,1-2H3
InChIKeyRBBZKHVAOMKOOW-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.82
Rot. Bonds5

About N-(1-imidazol-1-ylpropan-2-yl)-2-methoxycyclohexan-1-amine

N-(1-imidazol-1-ylpropan-2-yl)-2-methoxycyclohexan-1-amine (PubChem CID 43792000) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-2-methoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-2-methoxycyclohexan-1-amine
PubChem CID43792000
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1NC(C)Cn1ccnc1
InChIInChI=1S/C13H23N3O/c1-11(9-16-8-7-14-10-16)15-12-5-3-4-6-13(12)17-2/h7-8,10-13,15H,3-6,9H2,1-2H3
InChIKeyRBBZKHVAOMKOOW-UHFFFAOYSA-N
XLogP1.82
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-2-methoxycyclohexan-1-amine?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-2-methoxycyclohexan-1-amine (CID 43792000) is N-(1-imidazol-1-ylpropan-2-yl)-2-methoxycyclohexan-1-amine.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-2-methoxycyclohexan-1-amine?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-2-methoxycyclohexan-1-amine is COC1CCCCC1NC(C)Cn1ccnc1.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-2-methoxycyclohexan-1-amine?
The InChIKey is RBBZKHVAOMKOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11(9-16-8-7-14-10-16)15-12-5-3-4-6-13(12)17-2/h7-8,10-13,15H,3-6,9H2,1-2H3.
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-2-methoxycyclohexan-1-amine?
N-(1-imidazol-1-ylpropan-2-yl)-2-methoxycyclohexan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)-2-methoxycyclohexan-1-amine is sourced from PubChem (CID 43792000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).