N-[cyclooctyl-(1-methylimidazol-2-yl)methyl]ethanamine

C15H27N3 — CID 80603968

IUPACN-[cyclooctyl-(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCCNC(c1nccn1C)C1CCCCCCC1
InChIInChI=1S/C15H27N3/c1-3-16-14(15-17-11-12-18(15)2)13-9-7-5-4-6-8-10-13/h11-14,16H,3-10H2,1-2H3
InChIKeyQRNWUANVUQQLRO-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.43
Rot. Bonds4

About N-[cyclooctyl-(1-methylimidazol-2-yl)methyl]ethanamine

N-[cyclooctyl-(1-methylimidazol-2-yl)methyl]ethanamine (PubChem CID 80603968) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[cyclooctyl-(1-methylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclooctyl-(1-methylimidazol-2-yl)methyl]ethanamine
PubChem CID80603968
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[cyclooctyl-(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCCNC(c1nccn1C)C1CCCCCCC1
InChIInChI=1S/C15H27N3/c1-3-16-14(15-17-11-12-18(15)2)13-9-7-5-4-6-8-10-13/h11-14,16H,3-10H2,1-2H3
InChIKeyQRNWUANVUQQLRO-UHFFFAOYSA-N
XLogP3.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cycloheptyl-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 65399979
N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105149558
N-[(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 65395611
N-[cycloheptyl(pyrimidin-2-yl)methyl]ethanamine
CID 82932188
1-cyclooctyl-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 80603549
[2-cyclohexyl-1-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105258081
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]azocane-1-carboxamide
CID 125437876
N-[cyclohexyl-(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 102811928
N-ethyl-3-(1-methylimidazol-2-yl)butan-2-amine
CID 63200047
N-[(4-butylcyclohexyl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 115860125
N-[2-cyclohexylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 65144641
N-[cyclooctyl-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 80603885

Frequently Asked Questions

What is the IUPAC name of N-[cyclooctyl-(1-methylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[cyclooctyl-(1-methylimidazol-2-yl)methyl]ethanamine (CID 80603968) is N-[cyclooctyl-(1-methylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclooctyl-(1-methylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclooctyl-(1-methylimidazol-2-yl)methyl]ethanamine is CCNC(c1nccn1C)C1CCCCCCC1.
What is the InChIKey of N-[cyclooctyl-(1-methylimidazol-2-yl)methyl]ethanamine?
The InChIKey is QRNWUANVUQQLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-16-14(15-17-11-12-18(15)2)13-9-7-5-4-6-8-10-13/h11-14,16H,3-10H2,1-2H3.
What are the key properties of N-[cyclooctyl-(1-methylimidazol-2-yl)methyl]ethanamine?
N-[cyclooctyl-(1-methylimidazol-2-yl)methyl]ethanamine has a molecular weight of 249.40 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclooctyl-(1-methylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 80603968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).