1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine

C12H25N3 — CID 25102696

IUPAC1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine
SMILESCCCCCCCN1CCN=C1N(C)C
InChIInChI=1S/C12H25N3/c1-4-5-6-7-8-10-15-11-9-13-12(15)14(2)3/h4-11H2,1-3H3
InChIKeyGXVVMIDTTWQZHB-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.19
Rot. Bonds6

About 1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine

1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine (PubChem CID 25102696) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine
PubChem CID25102696
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine
SMILESCCCCCCCN1CCN=C1N(C)C
InChIInChI=1S/C12H25N3/c1-4-5-6-7-8-10-15-11-9-13-12(15)14(2)3/h4-11H2,1-3H3
InChIKeyGXVVMIDTTWQZHB-UHFFFAOYSA-N
XLogP2.19
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine (CID 25102696) is 1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine is CCCCCCCN1CCN=C1N(C)C.
What is the InChIKey of 1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine?
The InChIKey is GXVVMIDTTWQZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-4-5-6-7-8-10-15-11-9-13-12(15)14(2)3/h4-11H2,1-3H3.
What are the key properties of 1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine?
1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine has a molecular weight of 211.35 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 25102696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).