N-tert-butyl-4-(2-phenylimidazol-1-yl)butan-1-amine

C17H25N3 — CID 62566993

IUPACN-tert-butyl-4-(2-phenylimidazol-1-yl)butan-1-amine
SMILESCC(C)(C)NCCCCn1ccnc1-c1ccccc1
InChIInChI=1S/C17H25N3/c1-17(2,3)19-11-7-8-13-20-14-12-18-16(20)15-9-5-4-6-10-15/h4-6,9-10,12,14,19H,7-8,11,13H2,1-3H3
InChIKeyQMSQVPIOXBKUMC-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.72
Rot. Bonds6

About N-tert-butyl-4-(2-phenylimidazol-1-yl)butan-1-amine

N-tert-butyl-4-(2-phenylimidazol-1-yl)butan-1-amine (PubChem CID 62566993) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-tert-butyl-4-(2-phenylimidazol-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(2-phenylimidazol-1-yl)butan-1-amine
PubChem CID62566993
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-tert-butyl-4-(2-phenylimidazol-1-yl)butan-1-amine
SMILESCC(C)(C)NCCCCn1ccnc1-c1ccccc1
InChIInChI=1S/C17H25N3/c1-17(2,3)19-11-7-8-13-20-14-12-18-16(20)15-9-5-4-6-10-15/h4-6,9-10,12,14,19H,7-8,11,13H2,1-3H3
InChIKeyQMSQVPIOXBKUMC-UHFFFAOYSA-N
XLogP3.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.72
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 N-tert-butyl-4-(2-phenylimidazol-1-yl)butan-1-amine?
The IUPAC name of N-tert-butyl-4-(2-phenylimidazol-1-yl)butan-1-amine (CID 62566993) is N-tert-butyl-4-(2-phenylimidazol-1-yl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(2-phenylimidazol-1-yl)butan-1-amine?
The canonical SMILES for N-tert-butyl-4-(2-phenylimidazol-1-yl)butan-1-amine is CC(C)(C)NCCCCn1ccnc1-c1ccccc1.
What is the InChIKey of N-tert-butyl-4-(2-phenylimidazol-1-yl)butan-1-amine?
The InChIKey is QMSQVPIOXBKUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-17(2,3)19-11-7-8-13-20-14-12-18-16(20)15-9-5-4-6-10-15/h4-6,9-10,12,14,19H,7-8,11,13H2,1-3H3.
What are the key properties of N-tert-butyl-4-(2-phenylimidazol-1-yl)butan-1-amine?
N-tert-butyl-4-(2-phenylimidazol-1-yl)butan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2-phenylimidazol-1-yl)butan-1-amine is sourced from PubChem (CID 62566993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).