4-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine

C17H25N3 — CID 61069052

IUPAC4-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
SMILESCC(C)c1ccc(CNCCCCn2ccnc2)cc1
InChIInChI=1S/C17H25N3/c1-15(2)17-7-5-16(6-8-17)13-18-9-3-4-11-20-12-10-19-14-20/h5-8,10,12,14-15,18H,3-4,9,11,13H2,1-2H3
InChIKeySXXWZTSGGVUFTM-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.58
Rot. Bonds8

About 4-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine

4-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine (PubChem CID 61069052) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
PubChem CID61069052
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name4-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
SMILESCC(C)c1ccc(CNCCCCn2ccnc2)cc1
InChIInChI=1S/C17H25N3/c1-15(2)17-7-5-16(6-8-17)13-18-9-3-4-11-20-12-10-19-14-20/h5-8,10,12,14-15,18H,3-4,9,11,13H2,1-2H3
InChIKeySXXWZTSGGVUFTM-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.58
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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Related Compounds

N-[(4-chlorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine;dihydrochloride
CID 19429491
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 61069437
N-[(3,4-dichlorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 61069624
N-[(4-cyclopropylphenyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 79979594
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine
CID 15943325
3-imidazol-1-yl-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine
CID 142817924
4-imidazol-1-yl-N-(naphthalen-2-ylmethyl)butan-1-amine
CID 61071099
N-[(4-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155304
1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
CID 43435582
N-[(4-cyclopropylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 79978907
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 64801847
N-[(3-fluorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 61070174

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine?
The IUPAC name of 4-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine (CID 61069052) is 4-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine.
What is the SMILES notation for 4-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine?
The canonical SMILES for 4-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine is CC(C)c1ccc(CNCCCCn2ccnc2)cc1.
What is the InChIKey of 4-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine?
The InChIKey is SXXWZTSGGVUFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-15(2)17-7-5-16(6-8-17)13-18-9-3-4-11-20-12-10-19-14-20/h5-8,10,12,14-15,18H,3-4,9,11,13H2,1-2H3.
What are the key properties of 4-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine?
4-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 61069052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).