1-(imidazol-1-ylmethyl)-N-methylcyclohexan-1-amine

C11H19N3 — CID 70048275

IUPAC1-(imidazol-1-ylmethyl)-N-methylcyclohexan-1-amine
SMILESCNC1(Cn2ccnc2)CCCCC1
InChIInChI=1S/C11H19N3/c1-12-11(5-3-2-4-6-11)9-14-8-7-13-10-14/h7-8,10,12H,2-6,9H2,1H3
InChIKeyBUNCNADYZMXEQA-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.81
Rot. Bonds3

About 1-(imidazol-1-ylmethyl)-N-methylcyclohexan-1-amine

1-(imidazol-1-ylmethyl)-N-methylcyclohexan-1-amine (PubChem CID 70048275) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(imidazol-1-ylmethyl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(imidazol-1-ylmethyl)-N-methylcyclohexan-1-amine
PubChem CID70048275
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-(imidazol-1-ylmethyl)-N-methylcyclohexan-1-amine
SMILESCNC1(Cn2ccnc2)CCCCC1
InChIInChI=1S/C11H19N3/c1-12-11(5-3-2-4-6-11)9-14-8-7-13-10-14/h7-8,10,12H,2-6,9H2,1H3
InChIKeyBUNCNADYZMXEQA-UHFFFAOYSA-N
XLogP1.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(imidazol-1-ylmethyl)-N-methylcyclohexan-1-amine?
The IUPAC name of 1-(imidazol-1-ylmethyl)-N-methylcyclohexan-1-amine (CID 70048275) is 1-(imidazol-1-ylmethyl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(imidazol-1-ylmethyl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 1-(imidazol-1-ylmethyl)-N-methylcyclohexan-1-amine is CNC1(Cn2ccnc2)CCCCC1.
What is the InChIKey of 1-(imidazol-1-ylmethyl)-N-methylcyclohexan-1-amine?
The InChIKey is BUNCNADYZMXEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-12-11(5-3-2-4-6-11)9-14-8-7-13-10-14/h7-8,10,12H,2-6,9H2,1H3.
What are the key properties of 1-(imidazol-1-ylmethyl)-N-methylcyclohexan-1-amine?
1-(imidazol-1-ylmethyl)-N-methylcyclohexan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazol-1-ylmethyl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 70048275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).