1-(7-methyltridecan-7-yl)-4,5-dihydroimidazol-2-amine

C17H35N3 — CID 170309512

IUPAC1-(7-methyltridecan-7-yl)-4,5-dihydroimidazol-2-amine
SMILESCCCCCCC(C)(CCCCCC)N1CCN=C1N
InChIInChI=1S/C17H35N3/c1-4-6-8-10-12-17(3,13-11-9-7-5-2)20-15-14-19-16(20)18/h4-15H2,1-3H3,(H2,18,19)
InChIKeyJVDNXRWFYBLETO-UHFFFAOYSA-N
MW281.49 g/mol
LogP4.32
Rot. Bonds11

About 1-(7-methyltridecan-7-yl)-4,5-dihydroimidazol-2-amine

1-(7-methyltridecan-7-yl)-4,5-dihydroimidazol-2-amine (PubChem CID 170309512) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 1-(7-methyltridecan-7-yl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(7-methyltridecan-7-yl)-4,5-dihydroimidazol-2-amine
PubChem CID170309512
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name1-(7-methyltridecan-7-yl)-4,5-dihydroimidazol-2-amine
SMILESCCCCCCC(C)(CCCCCC)N1CCN=C1N
InChIInChI=1S/C17H35N3/c1-4-6-8-10-12-17(3,13-11-9-7-5-2)20-15-14-19-16(20)18/h4-15H2,1-3H3,(H2,18,19)
InChIKeyJVDNXRWFYBLETO-UHFFFAOYSA-N
XLogP4.32
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(7-methyltridecan-7-yl)-4,5-dihydroimidazol-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 1-(7-methyltridecan-7-yl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(7-methyltridecan-7-yl)-4,5-dihydroimidazol-2-amine (CID 170309512) is 1-(7-methyltridecan-7-yl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(7-methyltridecan-7-yl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(7-methyltridecan-7-yl)-4,5-dihydroimidazol-2-amine is CCCCCCC(C)(CCCCCC)N1CCN=C1N.
What is the InChIKey of 1-(7-methyltridecan-7-yl)-4,5-dihydroimidazol-2-amine?
The InChIKey is JVDNXRWFYBLETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-4-6-8-10-12-17(3,13-11-9-7-5-2)20-15-14-19-16(20)18/h4-15H2,1-3H3,(H2,18,19).
What are the key properties of 1-(7-methyltridecan-7-yl)-4,5-dihydroimidazol-2-amine?
1-(7-methyltridecan-7-yl)-4,5-dihydroimidazol-2-amine has a molecular weight of 281.49 g/mol, XLogP of 4.32, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyltridecan-7-yl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 170309512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).