N-(3-cyclopropylpropyl)-1-(2-methylpropyl)imidazol-2-amine

C13H23N3 — CID 106582532

IUPACN-(3-cyclopropylpropyl)-1-(2-methylpropyl)imidazol-2-amine
SMILESCC(C)Cn1ccnc1NCCCC1CC1
InChIInChI=1S/C13H23N3/c1-11(2)10-16-9-8-15-13(16)14-7-3-4-12-5-6-12/h8-9,11-12H,3-7,10H2,1-2H3,(H,14,15)
InChIKeyVVYYIEZTKHJAFL-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.14
Rot. Bonds7

About N-(3-cyclopropylpropyl)-1-(2-methylpropyl)imidazol-2-amine

N-(3-cyclopropylpropyl)-1-(2-methylpropyl)imidazol-2-amine (PubChem CID 106582532) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-(3-cyclopropylpropyl)-1-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(3-cyclopropylpropyl)-1-(2-methylpropyl)imidazol-2-amine
PubChem CID106582532
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-(3-cyclopropylpropyl)-1-(2-methylpropyl)imidazol-2-amine
SMILESCC(C)Cn1ccnc1NCCCC1CC1
InChIInChI=1S/C13H23N3/c1-11(2)10-16-9-8-15-13(16)14-7-3-4-12-5-6-12/h8-9,11-12H,3-7,10H2,1-2H3,(H,14,15)
InChIKeyVVYYIEZTKHJAFL-UHFFFAOYSA-N
XLogP3.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-cyclopropylpropyl)-1-(2-methylpropyl)imidazol-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

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylpropyl)-1-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of N-(3-cyclopropylpropyl)-1-(2-methylpropyl)imidazol-2-amine (CID 106582532) is N-(3-cyclopropylpropyl)-1-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for N-(3-cyclopropylpropyl)-1-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for N-(3-cyclopropylpropyl)-1-(2-methylpropyl)imidazol-2-amine is CC(C)Cn1ccnc1NCCCC1CC1.
What is the InChIKey of N-(3-cyclopropylpropyl)-1-(2-methylpropyl)imidazol-2-amine?
The InChIKey is VVYYIEZTKHJAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11(2)10-16-9-8-15-13(16)14-7-3-4-12-5-6-12/h8-9,11-12H,3-7,10H2,1-2H3,(H,14,15).
What are the key properties of N-(3-cyclopropylpropyl)-1-(2-methylpropyl)imidazol-2-amine?
N-(3-cyclopropylpropyl)-1-(2-methylpropyl)imidazol-2-amine has a molecular weight of 221.35 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-(3-cyclopropylpropyl)-1-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 106582532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).