1-hexyl-N,4-dimethylimidazol-2-amine

C11H21N3 — CID 106573791

IUPAC1-hexyl-N,4-dimethylimidazol-2-amine
SMILESCCCCCCn1cc(C)nc1NC
InChIInChI=1S/C11H21N3/c1-4-5-6-7-8-14-9-10(2)13-11(14)12-3/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyUHVSICDNNRMJGG-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.81
Rot. Bonds6

About 1-hexyl-N,4-dimethylimidazol-2-amine

1-hexyl-N,4-dimethylimidazol-2-amine (PubChem CID 106573791) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-hexyl-N,4-dimethylimidazol-2-amine.

Molecular Properties

Compound Name1-hexyl-N,4-dimethylimidazol-2-amine
PubChem CID106573791
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-hexyl-N,4-dimethylimidazol-2-amine
SMILESCCCCCCn1cc(C)nc1NC
InChIInChI=1S/C11H21N3/c1-4-5-6-7-8-14-9-10(2)13-11(14)12-3/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyUHVSICDNNRMJGG-UHFFFAOYSA-N
XLogP2.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-decyl-N-ethyl-4-methylimidazol-2-amine
CID 106578047
1-butyl-4-methyl-N-octylimidazol-2-amine
CID 106578853
N,4-dimethyl-1-(4-methylsulfanylbutyl)imidazol-2-amine
CID 106579956
2,4-dimethyl-1-pentylimidazole
CID 134592157
1-butyl-N-heptan-2-yl-4-methylimidazol-2-amine
CID 106568860
1-dodecyl-N-methylimidazol-2-amine
CID 57016020
1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine
CID 106578866
N,4-dimethyl-1-[3-(N-methylanilino)propyl]imidazol-2-amine
CID 106556643
1-butyl-2,4-dimethylimidazole
CID 69009415
1-butyl-N-(2,2-dimethylcyclopropyl)-4-methylimidazol-2-amine
CID 106564722
1-butyl-4-methyl-N-(3,3,3-trifluoropropyl)imidazol-2-amine
CID 106571611
1-butyl-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine
CID 106570733

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-N,4-dimethylimidazol-2-amine?
The IUPAC name of 1-hexyl-N,4-dimethylimidazol-2-amine (CID 106573791) is 1-hexyl-N,4-dimethylimidazol-2-amine.
What is the SMILES notation for 1-hexyl-N,4-dimethylimidazol-2-amine?
The canonical SMILES for 1-hexyl-N,4-dimethylimidazol-2-amine is CCCCCCn1cc(C)nc1NC.
What is the InChIKey of 1-hexyl-N,4-dimethylimidazol-2-amine?
The InChIKey is UHVSICDNNRMJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-5-6-7-8-14-9-10(2)13-11(14)12-3/h9H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 1-hexyl-N,4-dimethylimidazol-2-amine?
1-hexyl-N,4-dimethylimidazol-2-amine has a molecular weight of 195.31 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-N,4-dimethylimidazol-2-amine is sourced from PubChem (CID 106573791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).