N-[1-(1-methylimidazol-2-yl)ethyl]octan-4-amine

C14H27N3 — CID 103914355

IUPACN-[1-(1-methylimidazol-2-yl)ethyl]octan-4-amine
SMILESCCCCC(CCC)NC(C)c1nccn1C
InChIInChI=1S/C14H27N3/c1-5-7-9-13(8-6-2)16-12(3)14-15-10-11-17(14)4/h10-13,16H,5-9H2,1-4H3
InChIKeyBBLVZGGXRXXYTB-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.43
Rot. Bonds8

About N-[1-(1-methylimidazol-2-yl)ethyl]octan-4-amine

N-[1-(1-methylimidazol-2-yl)ethyl]octan-4-amine (PubChem CID 103914355) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[1-(1-methylimidazol-2-yl)ethyl]octan-4-amine.

Molecular Properties

Compound NameN-[1-(1-methylimidazol-2-yl)ethyl]octan-4-amine
PubChem CID103914355
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-[1-(1-methylimidazol-2-yl)ethyl]octan-4-amine
SMILESCCCCC(CCC)NC(C)c1nccn1C
InChIInChI=1S/C14H27N3/c1-5-7-9-13(8-6-2)16-12(3)14-15-10-11-17(14)4/h10-13,16H,5-9H2,1-4H3
InChIKeyBBLVZGGXRXXYTB-UHFFFAOYSA-N
XLogP3.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(1-methylimidazol-2-yl)ethyl]octan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-decan-5-yl-1-methylimidazole
CID 135217087
N-[1-(1-methylimidazol-2-yl)ethyl]pent-4-en-2-amine
CID 115901331
2-(1-bromobutyl)-1-methylimidazole
CID 175381237
2-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-1-amine
CID 115860076
1-methyl-2-nonan-3-ylimidazole
CID 138628571
(1R)-N-[(4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 95359172
N-[1-(1-methylimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine
CID 115901512
4,4,4-trifluoro-N-[1-(1-methylimidazol-2-yl)ethyl]butan-1-amine
CID 115516455
1-(1-methylimidazol-2-yl)heptylhydrazine
CID 105258177
N-[1-(1-methylimidazol-2-yl)ethyl]pent-4-yn-1-amine
CID 103914331
2-(1-methylimidazol-2-yl)pentan-1-amine
CID 116834928
1-(1-methylimidazol-2-yl)-2-propylpentan-1-ol
CID 115799892

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylimidazol-2-yl)ethyl]octan-4-amine?
The IUPAC name of N-[1-(1-methylimidazol-2-yl)ethyl]octan-4-amine (CID 103914355) is N-[1-(1-methylimidazol-2-yl)ethyl]octan-4-amine.
What is the SMILES notation for N-[1-(1-methylimidazol-2-yl)ethyl]octan-4-amine?
The canonical SMILES for N-[1-(1-methylimidazol-2-yl)ethyl]octan-4-amine is CCCCC(CCC)NC(C)c1nccn1C.
What is the InChIKey of N-[1-(1-methylimidazol-2-yl)ethyl]octan-4-amine?
The InChIKey is BBLVZGGXRXXYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-7-9-13(8-6-2)16-12(3)14-15-10-11-17(14)4/h10-13,16H,5-9H2,1-4H3.
What are the key properties of N-[1-(1-methylimidazol-2-yl)ethyl]octan-4-amine?
N-[1-(1-methylimidazol-2-yl)ethyl]octan-4-amine has a molecular weight of 237.39 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylimidazol-2-yl)ethyl]octan-4-amine is sourced from PubChem (CID 103914355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).