5-(1H-imidazol-5-yl)-N-(2-methylpropyl)pentan-1-amine

C12H23N3 — CID 11499453

IUPAC5-(1H-imidazol-5-yl)-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCCCCCc1cnc[nH]1
InChIInChI=1S/C12H23N3/c1-11(2)8-13-7-5-3-4-6-12-9-14-10-15-12/h9-11,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyVOXJNIGKOFAGBU-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.37
Rot. Bonds8

About 5-(1H-imidazol-5-yl)-N-(2-methylpropyl)pentan-1-amine

5-(1H-imidazol-5-yl)-N-(2-methylpropyl)pentan-1-amine (PubChem CID 11499453) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 5-(1H-imidazol-5-yl)-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name5-(1H-imidazol-5-yl)-N-(2-methylpropyl)pentan-1-amine
PubChem CID11499453
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name5-(1H-imidazol-5-yl)-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCCCCCc1cnc[nH]1
InChIInChI=1S/C12H23N3/c1-11(2)8-13-7-5-3-4-6-12-9-14-10-15-12/h9-11,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyVOXJNIGKOFAGBU-UHFFFAOYSA-N
XLogP2.37
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-hexyl-1H-imidazole
CID 14225142
3-(1H-imidazol-5-yl)-N-methylpropan-1-amine
CID 19776442
3-(1H-imidazol-5-yl)propyl N-(2-methylpropyl)carbamate
CID 10727902
N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbutan-1-amine
CID 10377137
5-[6-[6-(1H-imidazol-5-yl)hexoxy]hexyl]-1H-imidazole
CID 69024759
10-(1H-imidazol-5-yl)decan-2-one
CID 170211337
N-[2-(1H-imidazol-5-yl)ethyl]butan-2-amine
CID 65232249
N-[2-(1H-imidazol-5-yl)ethyl]octan-2-amine
CID 65232388
N'-[2-(1H-imidazol-5-yl)ethyl]-N-methylethane-1,2-diamine
CID 102056012
N-(1H-imidazol-5-ylmethyl)-5-methoxypentan-1-amine;hydrochloride
CID 115607731
5-(4-butylphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 65300670
3-fluoro-N-(1H-imidazol-5-ylmethyl)propan-1-amine
CID 115733016

Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-5-yl)-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 5-(1H-imidazol-5-yl)-N-(2-methylpropyl)pentan-1-amine (CID 11499453) is 5-(1H-imidazol-5-yl)-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 5-(1H-imidazol-5-yl)-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 5-(1H-imidazol-5-yl)-N-(2-methylpropyl)pentan-1-amine is CC(C)CNCCCCCc1cnc[nH]1.
What is the InChIKey of 5-(1H-imidazol-5-yl)-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is VOXJNIGKOFAGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-11(2)8-13-7-5-3-4-6-12-9-14-10-15-12/h9-11,13H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 5-(1H-imidazol-5-yl)-N-(2-methylpropyl)pentan-1-amine?
5-(1H-imidazol-5-yl)-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-5-yl)-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 11499453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).