4-(4,5-dimethylimidazol-1-yl)-N-(2-methylpropyl)pentan-1-amine

C14H27N3 — CID 62442969

IUPAC4-(4,5-dimethylimidazol-1-yl)-N-(2-methylpropyl)pentan-1-amine
SMILESCc1ncn(C(C)CCCNCC(C)C)c1C
InChIInChI=1S/C14H27N3/c1-11(2)9-15-8-6-7-12(3)17-10-16-13(4)14(17)5/h10-12,15H,6-9H2,1-5H3
InChIKeyUNYDVSQUZNZAQX-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.09
Rot. Bonds7

About 4-(4,5-dimethylimidazol-1-yl)-N-(2-methylpropyl)pentan-1-amine

4-(4,5-dimethylimidazol-1-yl)-N-(2-methylpropyl)pentan-1-amine (PubChem CID 62442969) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 4-(4,5-dimethylimidazol-1-yl)-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name4-(4,5-dimethylimidazol-1-yl)-N-(2-methylpropyl)pentan-1-amine
PubChem CID62442969
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name4-(4,5-dimethylimidazol-1-yl)-N-(2-methylpropyl)pentan-1-amine
SMILESCc1ncn(C(C)CCCNCC(C)C)c1C
InChIInChI=1S/C14H27N3/c1-11(2)9-15-8-6-7-12(3)17-10-16-13(4)14(17)5/h10-12,15H,6-9H2,1-5H3
InChIKeyUNYDVSQUZNZAQX-UHFFFAOYSA-N
XLogP3.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
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 4-(4,5-dimethylimidazol-1-yl)-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-N-(2-methylpropyl)pentan-1-amine (CID 62442969) is 4-(4,5-dimethylimidazol-1-yl)-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 4-(4,5-dimethylimidazol-1-yl)-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 4-(4,5-dimethylimidazol-1-yl)-N-(2-methylpropyl)pentan-1-amine is Cc1ncn(C(C)CCCNCC(C)C)c1C.
What is the InChIKey of 4-(4,5-dimethylimidazol-1-yl)-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is UNYDVSQUZNZAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-11(2)9-15-8-6-7-12(3)17-10-16-13(4)14(17)5/h10-12,15H,6-9H2,1-5H3.
What are the key properties of 4-(4,5-dimethylimidazol-1-yl)-N-(2-methylpropyl)pentan-1-amine?
4-(4,5-dimethylimidazol-1-yl)-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethylimidazol-1-yl)-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 62442969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).