4-(1-methylimidazol-2-yl)-1-phenyl-N-propylbutan-1-amine

C17H25N3 — CID 79761932

IUPAC4-(1-methylimidazol-2-yl)-1-phenyl-N-propylbutan-1-amine
SMILESCCCNC(CCCc1nccn1C)c1ccccc1
InChIInChI=1S/C17H25N3/c1-3-12-18-16(15-8-5-4-6-9-15)10-7-11-17-19-13-14-20(17)2/h4-6,8-9,13-14,16,18H,3,7,10-12H2,1-2H3
InChIKeyVCNYGKAFDZQQGN-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.48
Rot. Bonds8

About 4-(1-methylimidazol-2-yl)-1-phenyl-N-propylbutan-1-amine

4-(1-methylimidazol-2-yl)-1-phenyl-N-propylbutan-1-amine (PubChem CID 79761932) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)-1-phenyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)-1-phenyl-N-propylbutan-1-amine
PubChem CID79761932
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name4-(1-methylimidazol-2-yl)-1-phenyl-N-propylbutan-1-amine
SMILESCCCNC(CCCc1nccn1C)c1ccccc1
InChIInChI=1S/C17H25N3/c1-3-12-18-16(15-8-5-4-6-9-15)10-7-11-17-19-13-14-20(17)2/h4-6,8-9,13-14,16,18H,3,7,10-12H2,1-2H3
InChIKeyVCNYGKAFDZQQGN-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-5-(1-methylimidazol-2-yl)-1-phenylpentan-1-amine
CID 114532132
1-(4-bromo-3-methylphenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105049733
1-(5-methylfuran-3-yl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105049859
3-(1-methylimidazol-2-yl)-1-(3-methylimidazol-4-yl)-N-propylpropan-1-amine
CID 114530679
1-(3-chloro-2-pyridinyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 103444761
1-(3-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 114530643
4-(1-ethylimidazol-2-yl)-N-methyl-1-phenylbutan-1-amine
CID 79761574
1-phenyl-N-propyl-4-pyridin-3-ylbutan-1-amine
CID 104737019
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105187793
N-[1-(3-iodophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 105011328
3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 64503736
1-phenyl-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105083650

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-2-yl)-1-phenyl-N-propylbutan-1-amine?
The IUPAC name of 4-(1-methylimidazol-2-yl)-1-phenyl-N-propylbutan-1-amine (CID 79761932) is 4-(1-methylimidazol-2-yl)-1-phenyl-N-propylbutan-1-amine.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)-1-phenyl-N-propylbutan-1-amine?
The canonical SMILES for 4-(1-methylimidazol-2-yl)-1-phenyl-N-propylbutan-1-amine is CCCNC(CCCc1nccn1C)c1ccccc1.
What is the InChIKey of 4-(1-methylimidazol-2-yl)-1-phenyl-N-propylbutan-1-amine?
The InChIKey is VCNYGKAFDZQQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-12-18-16(15-8-5-4-6-9-15)10-7-11-17-19-13-14-20(17)2/h4-6,8-9,13-14,16,18H,3,7,10-12H2,1-2H3.
What are the key properties of 4-(1-methylimidazol-2-yl)-1-phenyl-N-propylbutan-1-amine?
4-(1-methylimidazol-2-yl)-1-phenyl-N-propylbutan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)-1-phenyl-N-propylbutan-1-amine is sourced from PubChem (CID 79761932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).