1-(3-octan-4-ylimidazol-4-yl)ethanamine

C13H25N3 — CID 106022203

IUPAC1-(3-octan-4-ylimidazol-4-yl)ethanamine
SMILESCCCCC(CCC)n1cncc1C(C)N
InChIInChI=1S/C13H25N3/c1-4-6-8-12(7-5-2)16-10-15-9-13(16)11(3)14/h9-12H,4-8,14H2,1-3H3
InChIKeyFVOIOCZRAHRRTF-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.43
Rot. Bonds7

About 1-(3-octan-4-ylimidazol-4-yl)ethanamine

1-(3-octan-4-ylimidazol-4-yl)ethanamine (PubChem CID 106022203) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(3-octan-4-ylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(3-octan-4-ylimidazol-4-yl)ethanamine
PubChem CID106022203
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-(3-octan-4-ylimidazol-4-yl)ethanamine
SMILESCCCCC(CCC)n1cncc1C(C)N
InChIInChI=1S/C13H25N3/c1-4-6-8-12(7-5-2)16-10-15-9-13(16)11(3)14/h9-12H,4-8,14H2,1-3H3
InChIKeyFVOIOCZRAHRRTF-UHFFFAOYSA-N
XLogP3.43
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-octan-4-ylimidazol-4-yl)ethanamine 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

(1S)-1-(3-hexan-2-ylimidazol-4-yl)ethanamine
CID 104942866
(1R)-1-(3-hexan-3-ylimidazol-4-yl)propan-1-amine
CID 104942872
2-amino-2-(3-hexan-2-ylimidazol-4-yl)ethanol
CID 114705562
1-(3-butylimidazol-4-yl)ethanamine
CID 114702792
5-(azetidin-3-yl)-1-octan-4-ylimidazole
CID 106022193
1-[3-(4-methoxybutan-2-yl)imidazol-4-yl]ethanamine
CID 114706503
2-methyl-1-(3-octan-2-ylimidazol-4-yl)propan-1-amine
CID 102969584
2-(3-octan-4-ylimidazol-4-yl)piperidine
CID 106022201
1-[3-(1-methoxypropan-2-yl)imidazol-4-yl]ethanamine
CID 114702976
1-(3-but-3-en-2-ylimidazol-4-yl)ethanamine
CID 114707390
3-methyl-1-(3-propan-2-ylimidazol-4-yl)butan-1-amine
CID 114703737
(1R)-1-[3-(2-butoxyethyl)imidazol-4-yl]ethanamine
CID 104942754

Frequently Asked Questions

What is the IUPAC name of 1-(3-octan-4-ylimidazol-4-yl)ethanamine?
The IUPAC name of 1-(3-octan-4-ylimidazol-4-yl)ethanamine (CID 106022203) is 1-(3-octan-4-ylimidazol-4-yl)ethanamine.
What is the SMILES notation for 1-(3-octan-4-ylimidazol-4-yl)ethanamine?
The canonical SMILES for 1-(3-octan-4-ylimidazol-4-yl)ethanamine is CCCCC(CCC)n1cncc1C(C)N.
What is the InChIKey of 1-(3-octan-4-ylimidazol-4-yl)ethanamine?
The InChIKey is FVOIOCZRAHRRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-4-6-8-12(7-5-2)16-10-15-9-13(16)11(3)14/h9-12H,4-8,14H2,1-3H3.
What are the key properties of 1-(3-octan-4-ylimidazol-4-yl)ethanamine?
1-(3-octan-4-ylimidazol-4-yl)ethanamine has a molecular weight of 223.36 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-octan-4-ylimidazol-4-yl)ethanamine is sourced from PubChem (CID 106022203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).