N-hexyl-1-propylimidazol-2-amine

C12H23N3 — CID 106573792

IUPACN-hexyl-1-propylimidazol-2-amine
SMILESCCCCCCNc1nccn1CCC
InChIInChI=1S/C12H23N3/c1-3-5-6-7-8-13-12-14-9-11-15(12)10-4-2/h9,11H,3-8,10H2,1-2H3,(H,13,14)
InChIKeyYPBBTMTWXDWCHK-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.29
Rot. Bonds8

About N-hexyl-1-propylimidazol-2-amine

N-hexyl-1-propylimidazol-2-amine (PubChem CID 106573792) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-hexyl-1-propylimidazol-2-amine.

Molecular Properties

Compound NameN-hexyl-1-propylimidazol-2-amine
PubChem CID106573792
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-hexyl-1-propylimidazol-2-amine
SMILESCCCCCCNc1nccn1CCC
InChIInChI=1S/C12H23N3/c1-3-5-6-7-8-13-12-14-9-11-15(12)10-4-2/h9,11H,3-8,10H2,1-2H3,(H,13,14)
InChIKeyYPBBTMTWXDWCHK-UHFFFAOYSA-N
XLogP3.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.29
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

N-butyl-1-hexylimidazol-2-amine
CID 106573794
1-ethyl-N-octylimidazol-2-amine
CID 115568972
N-(4-methylpentyl)-1-propylimidazol-2-amine
CID 106572167
N-(3-methoxypropyl)-1-octylimidazol-2-amine
CID 106578886
1-dodecyl-N-methylimidazol-2-amine
CID 57016020
N-butyl-1-[2-[di(propan-2-yl)amino]ethyl]imidazol-2-amine
CID 106555556
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-propylimidazol-2-amine
CID 106581873
1-butyl-N-[4-(2-methoxyethoxy)butyl]imidazol-2-amine
CID 106581195
1-butyl-N-(2-pyrazol-1-ylethyl)imidazol-2-amine
CID 106568584
1-butyl-N-(2-ethoxyethyl)imidazol-2-amine
CID 106554086
N-butyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine
CID 106574296
4-[(1-ethylimidazol-2-yl)amino]butan-1-ol
CID 106842674

Frequently Asked Questions

What is the IUPAC name of N-hexyl-1-propylimidazol-2-amine?
The IUPAC name of N-hexyl-1-propylimidazol-2-amine (CID 106573792) is N-hexyl-1-propylimidazol-2-amine.
What is the SMILES notation for N-hexyl-1-propylimidazol-2-amine?
The canonical SMILES for N-hexyl-1-propylimidazol-2-amine is CCCCCCNc1nccn1CCC.
What is the InChIKey of N-hexyl-1-propylimidazol-2-amine?
The InChIKey is YPBBTMTWXDWCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-3-5-6-7-8-13-12-14-9-11-15(12)10-4-2/h9,11H,3-8,10H2,1-2H3,(H,13,14).
What are the key properties of N-hexyl-1-propylimidazol-2-amine?
N-hexyl-1-propylimidazol-2-amine has a molecular weight of 209.34 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-1-propylimidazol-2-amine is sourced from PubChem (CID 106573792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).