N-methyl-2-(3-pentan-3-ylimidazol-4-yl)propan-2-amine

C12H23N3 — CID 114708037

IUPACN-methyl-2-(3-pentan-3-ylimidazol-4-yl)propan-2-amine
SMILESCCC(CC)n1cncc1C(C)(C)NC
InChIInChI=1S/C12H23N3/c1-6-10(7-2)15-9-14-8-11(15)12(3,4)13-5/h8-10,13H,6-7H2,1-5H3
InChIKeyLDGSTOGVHZGGQG-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.70
Rot. Bonds5

About N-methyl-2-(3-pentan-3-ylimidazol-4-yl)propan-2-amine

N-methyl-2-(3-pentan-3-ylimidazol-4-yl)propan-2-amine (PubChem CID 114708037) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-methyl-2-(3-pentan-3-ylimidazol-4-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-2-(3-pentan-3-ylimidazol-4-yl)propan-2-amine
PubChem CID114708037
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-methyl-2-(3-pentan-3-ylimidazol-4-yl)propan-2-amine
SMILESCCC(CC)n1cncc1C(C)(C)NC
InChIInChI=1S/C12H23N3/c1-6-10(7-2)15-9-14-8-11(15)12(3,4)13-5/h8-10,13H,6-7H2,1-5H3
InChIKeyLDGSTOGVHZGGQG-UHFFFAOYSA-N
XLogP2.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-(3-pentan-3-ylimidazol-4-yl)propan-2-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

N-methyl-2-(3-propan-2-ylimidazol-4-yl)propan-2-amine
CID 114708057
N-methyl-2-[3-(1-methylsulfanylpropan-2-yl)imidazol-4-yl]propan-2-amine
CID 114708459
N-methyl-2-(3-pent-4-yn-2-ylimidazol-4-yl)propan-2-amine
CID 114708442
2-(3-hexan-3-ylimidazol-4-yl)propan-2-amine
CID 114705574
2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine
CID 114708183
2-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine
CID 114708092
2-[3-(1-ethylpyrazol-3-yl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114250840
2-[3-(2-ethoxyethyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114707924
N-methyl-2-[3-(2-methylsulfanylpropyl)imidazol-4-yl]propan-2-amine
CID 114708450
2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine
CID 114708364
N-methyl-2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]propan-2-amine
CID 114708302
2-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114708434

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-pentan-3-ylimidazol-4-yl)propan-2-amine?
The IUPAC name of N-methyl-2-(3-pentan-3-ylimidazol-4-yl)propan-2-amine (CID 114708037) is N-methyl-2-(3-pentan-3-ylimidazol-4-yl)propan-2-amine.
What is the SMILES notation for N-methyl-2-(3-pentan-3-ylimidazol-4-yl)propan-2-amine?
The canonical SMILES for N-methyl-2-(3-pentan-3-ylimidazol-4-yl)propan-2-amine is CCC(CC)n1cncc1C(C)(C)NC.
What is the InChIKey of N-methyl-2-(3-pentan-3-ylimidazol-4-yl)propan-2-amine?
The InChIKey is LDGSTOGVHZGGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-6-10(7-2)15-9-14-8-11(15)12(3,4)13-5/h8-10,13H,6-7H2,1-5H3.
What are the key properties of N-methyl-2-(3-pentan-3-ylimidazol-4-yl)propan-2-amine?
N-methyl-2-(3-pentan-3-ylimidazol-4-yl)propan-2-amine has a molecular weight of 209.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-pentan-3-ylimidazol-4-yl)propan-2-amine is sourced from PubChem (CID 114708037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).