2-methyl-1-(3-octan-2-ylimidazol-4-yl)propan-1-amine

C15H29N3 — CID 102969584

IUPAC2-methyl-1-(3-octan-2-ylimidazol-4-yl)propan-1-amine
SMILESCCCCCCC(C)n1cncc1C(N)C(C)C
InChIInChI=1S/C15H29N3/c1-5-6-7-8-9-13(4)18-11-17-10-14(18)15(16)12(2)3/h10-13,15H,5-9,16H2,1-4H3
InChIKeyVYKNSSUEYQLGBE-UHFFFAOYSA-N
MW251.42 g/mol
LogP4.07
Rot. Bonds8

About 2-methyl-1-(3-octan-2-ylimidazol-4-yl)propan-1-amine

2-methyl-1-(3-octan-2-ylimidazol-4-yl)propan-1-amine (PubChem CID 102969584) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 2-methyl-1-(3-octan-2-ylimidazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(3-octan-2-ylimidazol-4-yl)propan-1-amine
PubChem CID102969584
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name2-methyl-1-(3-octan-2-ylimidazol-4-yl)propan-1-amine
SMILESCCCCCCC(C)n1cncc1C(N)C(C)C
InChIInChI=1S/C15H29N3/c1-5-6-7-8-9-13(4)18-11-17-10-14(18)15(16)12(2)3/h10-13,15H,5-9,16H2,1-4H3
InChIKeyVYKNSSUEYQLGBE-UHFFFAOYSA-N
XLogP4.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-1-(3-octan-2-ylimidazol-4-yl)propan-1-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

(1S)-1-(3-hexan-2-ylimidazol-4-yl)ethanamine
CID 104942866
2-amino-2-(3-hexan-2-ylimidazol-4-yl)ethanol
CID 114705562
1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969894
2-methyl-1-(3-pent-4-yn-2-ylimidazol-4-yl)propan-1-amine
CID 102969862
2-methyl-1-[3-(1-phenylpropan-2-yl)imidazol-4-yl]propan-1-amine
CID 102969714
5-cyclopropyl-1-heptan-2-ylimidazole
CID 116811645
1-(3-octan-4-ylimidazol-4-yl)ethanamine
CID 106022203
N-[(3-heptan-2-ylimidazol-4-yl)methyl]propan-1-amine
CID 66148416
1-heptan-2-yl-5-pyrrolidin-2-ylimidazole
CID 114705341
1-[3-(4-methoxybutan-2-yl)imidazol-4-yl]ethanamine
CID 114706503
1-[3-(4-ethylsulfanylbutan-2-yl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114707825
1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine
CID 102969585

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-octan-2-ylimidazol-4-yl)propan-1-amine?
The IUPAC name of 2-methyl-1-(3-octan-2-ylimidazol-4-yl)propan-1-amine (CID 102969584) is 2-methyl-1-(3-octan-2-ylimidazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-1-(3-octan-2-ylimidazol-4-yl)propan-1-amine?
The canonical SMILES for 2-methyl-1-(3-octan-2-ylimidazol-4-yl)propan-1-amine is CCCCCCC(C)n1cncc1C(N)C(C)C.
What is the InChIKey of 2-methyl-1-(3-octan-2-ylimidazol-4-yl)propan-1-amine?
The InChIKey is VYKNSSUEYQLGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-5-6-7-8-9-13(4)18-11-17-10-14(18)15(16)12(2)3/h10-13,15H,5-9,16H2,1-4H3.
What are the key properties of 2-methyl-1-(3-octan-2-ylimidazol-4-yl)propan-1-amine?
2-methyl-1-(3-octan-2-ylimidazol-4-yl)propan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-octan-2-ylimidazol-4-yl)propan-1-amine is sourced from PubChem (CID 102969584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).