N-hexan-3-yl-1-methylimidazol-2-amine

C10H19N3 — CID 62133661

IUPACN-hexan-3-yl-1-methylimidazol-2-amine
SMILESCCCC(CC)Nc1nccn1C
InChIInChI=1S/C10H19N3/c1-4-6-9(5-2)12-10-11-7-8-13(10)3/h7-9H,4-6H2,1-3H3,(H,11,12)
InChIKeyVNOCRAYXSRLXOK-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.41
Rot. Bonds5

About N-hexan-3-yl-1-methylimidazol-2-amine

N-hexan-3-yl-1-methylimidazol-2-amine (PubChem CID 62133661) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-hexan-3-yl-1-methylimidazol-2-amine.

Molecular Properties

Compound NameN-hexan-3-yl-1-methylimidazol-2-amine
PubChem CID62133661
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-hexan-3-yl-1-methylimidazol-2-amine
SMILESCCCC(CC)Nc1nccn1C
InChIInChI=1S/C10H19N3/c1-4-6-9(5-2)12-10-11-7-8-13(10)3/h7-9H,4-6H2,1-3H3,(H,11,12)
InChIKeyVNOCRAYXSRLXOK-UHFFFAOYSA-N
XLogP2.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-hexan-3-yl-1-methylimidazol-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

1-methyl-N-pentan-3-ylimidazol-2-amine
CID 62132399
2-[(1-methylimidazol-2-yl)amino]butanoic acid
CID 62132542
4-methyl-2-[(1-methylimidazol-2-yl)amino]pentan-1-ol
CID 62133297
3-(1-aminopentan-2-ylamino)-1-methylpyrazin-2-one
CID 65192630
ethyl 2-[(1-methylimidazol-2-yl)amino]propanoate
CID 62133474
1-N,1-N-dimethyl-2-N-(1-methylimidazol-2-yl)propane-1,2-diamine
CID 82937558
3-(1-aminobutan-2-ylamino)-1-methylpyrazin-2-one
CID 63765313
N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine
CID 43088152
N-[1-(1-methylimidazol-2-yl)ethyl]octan-4-amine
CID 103914355
1-methyl-N-(4-phenylbutan-2-yl)imidazol-2-amine
CID 62133485
1-methyl-N-(2,3,3-trimethylbutyl)imidazol-2-amine
CID 83143894
3-(1-aminopentan-3-ylamino)-1-propylpyrazin-2-one
CID 113496630

Frequently Asked Questions

What is the IUPAC name of N-hexan-3-yl-1-methylimidazol-2-amine?
The IUPAC name of N-hexan-3-yl-1-methylimidazol-2-amine (CID 62133661) is N-hexan-3-yl-1-methylimidazol-2-amine.
What is the SMILES notation for N-hexan-3-yl-1-methylimidazol-2-amine?
The canonical SMILES for N-hexan-3-yl-1-methylimidazol-2-amine is CCCC(CC)Nc1nccn1C.
What is the InChIKey of N-hexan-3-yl-1-methylimidazol-2-amine?
The InChIKey is VNOCRAYXSRLXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-4-6-9(5-2)12-10-11-7-8-13(10)3/h7-9H,4-6H2,1-3H3,(H,11,12).
What are the key properties of N-hexan-3-yl-1-methylimidazol-2-amine?
N-hexan-3-yl-1-methylimidazol-2-amine has a molecular weight of 181.28 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-1-methylimidazol-2-amine is sourced from PubChem (CID 62133661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).