N-(cyclohexylmethyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine

C15H27N3 — CID 77090522

IUPACN-(cyclohexylmethyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCN(CCCc1nccn1C)CC1CCCCC1
InChIInChI=1S/C15H27N3/c1-17(13-14-7-4-3-5-8-14)11-6-9-15-16-10-12-18(15)2/h10,12,14H,3-9,11,13H2,1-2H3
InChIKeyKTRUGQCFTFKKRZ-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.86
Rot. Bonds6

About N-(cyclohexylmethyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine

N-(cyclohexylmethyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine (PubChem CID 77090522) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
PubChem CID77090522
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-(cyclohexylmethyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCN(CCCc1nccn1C)CC1CCCCC1
InChIInChI=1S/C15H27N3/c1-17(13-14-7-4-3-5-8-14)11-6-9-15-16-10-12-18(15)2/h10,12,14H,3-9,11,13H2,1-2H3
InChIKeyKTRUGQCFTFKKRZ-UHFFFAOYSA-N
XLogP2.86
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine?
The IUPAC name of N-(cyclohexylmethyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine (CID 77090522) is N-(cyclohexylmethyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine?
The canonical SMILES for N-(cyclohexylmethyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine is CN(CCCc1nccn1C)CC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine?
The InChIKey is KTRUGQCFTFKKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-17(13-14-7-4-3-5-8-14)11-6-9-15-16-10-12-18(15)2/h10,12,14H,3-9,11,13H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine?
N-(cyclohexylmethyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 77090522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).