N-(4-methylpentyl)-1-propylimidazol-2-amine

C12H23N3 — CID 106572167

IUPACN-(4-methylpentyl)-1-propylimidazol-2-amine
SMILESCCCn1ccnc1NCCCC(C)C
InChIInChI=1S/C12H23N3/c1-4-9-15-10-8-14-12(15)13-7-5-6-11(2)3/h8,10-11H,4-7,9H2,1-3H3,(H,13,14)
InChIKeyVDGIGRXCJDVQMW-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.14
Rot. Bonds7

About N-(4-methylpentyl)-1-propylimidazol-2-amine

N-(4-methylpentyl)-1-propylimidazol-2-amine (PubChem CID 106572167) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-(4-methylpentyl)-1-propylimidazol-2-amine.

Molecular Properties

Compound NameN-(4-methylpentyl)-1-propylimidazol-2-amine
PubChem CID106572167
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-(4-methylpentyl)-1-propylimidazol-2-amine
SMILESCCCn1ccnc1NCCCC(C)C
InChIInChI=1S/C12H23N3/c1-4-9-15-10-8-14-12(15)13-7-5-6-11(2)3/h8,10-11H,4-7,9H2,1-3H3,(H,13,14)
InChIKeyVDGIGRXCJDVQMW-UHFFFAOYSA-N
XLogP3.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.14
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-hexyl-1-propylimidazol-2-amine
CID 106573792
N-butyl-1-hexylimidazol-2-amine
CID 106573794
N-butyl-1-[2-[di(propan-2-yl)amino]ethyl]imidazol-2-amine
CID 106555556
3-(4-chloropentylamino)-1-propylpyrazin-2-one
CID 106124558
5-methyl-N-[(1-propylimidazol-2-yl)methyl]hexan-1-amine
CID 115325223
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-propylimidazol-2-amine
CID 106581873
1-ethyl-N-octylimidazol-2-amine
CID 115568972
N-butyl-1-(2-methylsulfanylpropyl)imidazol-2-amine
CID 106580940
3-[2-(3-methylbutoxy)ethylamino]-1-propylpyrazin-2-one
CID 62927925
1-(3,3-dimethylbutyl)-N-propylimidazol-2-amine
CID 106581758
1-butyl-N-(2-methylbutyl)imidazol-2-amine
CID 106570370
3-(7-methyloctylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 107816214

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentyl)-1-propylimidazol-2-amine?
The IUPAC name of N-(4-methylpentyl)-1-propylimidazol-2-amine (CID 106572167) is N-(4-methylpentyl)-1-propylimidazol-2-amine.
What is the SMILES notation for N-(4-methylpentyl)-1-propylimidazol-2-amine?
The canonical SMILES for N-(4-methylpentyl)-1-propylimidazol-2-amine is CCCn1ccnc1NCCCC(C)C.
What is the InChIKey of N-(4-methylpentyl)-1-propylimidazol-2-amine?
The InChIKey is VDGIGRXCJDVQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-9-15-10-8-14-12(15)13-7-5-6-11(2)3/h8,10-11H,4-7,9H2,1-3H3,(H,13,14).
What are the key properties of N-(4-methylpentyl)-1-propylimidazol-2-amine?
N-(4-methylpentyl)-1-propylimidazol-2-amine has a molecular weight of 209.34 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)-1-propylimidazol-2-amine is sourced from PubChem (CID 106572167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).