(1R)-N-(2-methylpropyl)-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine

C20H31N3 — CID 67214186

IUPAC(1R)-N-(2-methylpropyl)-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine
SMILESCCCCCC[C@@H](NCC(C)C)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C20H31N3/c1-4-5-6-10-13-18(21-14-16(2)3)20-22-15-19(23-20)17-11-8-7-9-12-17/h7-9,11-12,15-16,18,21H,4-6,10,13-14H2,1-3H3,(H,22,23)/t18-/m1/s1
InChIKeyBSRNBFFTTDXJDK-GOSISDBHSA-N
MW313.49 g/mol
LogP5.33
Rot. Bonds10

About (1R)-N-(2-methylpropyl)-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine

(1R)-N-(2-methylpropyl)-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine (PubChem CID 67214186) has the molecular formula C20H31N3 and a molecular weight of 313.49 g/mol. Its IUPAC name is (1R)-N-(2-methylpropyl)-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine.

Molecular Properties

Compound Name(1R)-N-(2-methylpropyl)-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine
PubChem CID67214186
Molecular FormulaC20H31N3
Molecular Weight313.49 g/mol
Exact Mass313.25
IUPAC Name(1R)-N-(2-methylpropyl)-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine
SMILESCCCCCC[C@@H](NCC(C)C)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C20H31N3/c1-4-5-6-10-13-18(21-14-16(2)3)20-22-15-19(23-20)17-11-8-7-9-12-17/h7-9,11-12,15-16,18,21H,4-6,10,13-14H2,1-3H3,(H,22,23)/t18-/m1/s1
InChIKeyBSRNBFFTTDXJDK-GOSISDBHSA-N
XLogP5.33
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.49
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R)-N-(2-methylpropyl)-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-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 (1R)-N-(2-methylpropyl)-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine?
The IUPAC name of (1R)-N-(2-methylpropyl)-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine (CID 67214186) is (1R)-N-(2-methylpropyl)-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine.
What is the SMILES notation for (1R)-N-(2-methylpropyl)-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine?
The canonical SMILES for (1R)-N-(2-methylpropyl)-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine is CCCCCC[C@@H](NCC(C)C)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of (1R)-N-(2-methylpropyl)-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine?
The InChIKey is BSRNBFFTTDXJDK-GOSISDBHSA-N. The full InChI is InChI=1S/C20H31N3/c1-4-5-6-10-13-18(21-14-16(2)3)20-22-15-19(23-20)17-11-8-7-9-12-17/h7-9,11-12,15-16,18,21H,4-6,10,13-14H2,1-3H3,(H,22,23)/t18-/m1/s1.
What are the key properties of (1R)-N-(2-methylpropyl)-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine?
(1R)-N-(2-methylpropyl)-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine has a molecular weight of 313.49 g/mol, XLogP of 5.33, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(2-methylpropyl)-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine is sourced from PubChem (CID 67214186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).