N-methyl-5-(1-methylimidazol-2-yl)-1-phenylpentan-1-amine

C16H23N3 — CID 114532132

IUPACN-methyl-5-(1-methylimidazol-2-yl)-1-phenylpentan-1-amine
SMILESCNC(CCCCc1nccn1C)c1ccccc1
InChIInChI=1S/C16H23N3/c1-17-15(14-8-4-3-5-9-14)10-6-7-11-16-18-12-13-19(16)2/h3-5,8-9,12-13,15,17H,6-7,10-11H2,1-2H3
InChIKeyXARBRDBYNAQZJY-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.09
Rot. Bonds7

About N-methyl-5-(1-methylimidazol-2-yl)-1-phenylpentan-1-amine

N-methyl-5-(1-methylimidazol-2-yl)-1-phenylpentan-1-amine (PubChem CID 114532132) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-methyl-5-(1-methylimidazol-2-yl)-1-phenylpentan-1-amine.

Molecular Properties

Compound NameN-methyl-5-(1-methylimidazol-2-yl)-1-phenylpentan-1-amine
PubChem CID114532132
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-methyl-5-(1-methylimidazol-2-yl)-1-phenylpentan-1-amine
SMILESCNC(CCCCc1nccn1C)c1ccccc1
InChIInChI=1S/C16H23N3/c1-17-15(14-8-4-3-5-9-14)10-6-7-11-16-18-12-13-19(16)2/h3-5,8-9,12-13,15,17H,6-7,10-11H2,1-2H3
InChIKeyXARBRDBYNAQZJY-UHFFFAOYSA-N
XLogP3.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
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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Related Compounds

4-(1-methylimidazol-2-yl)-1-phenyl-N-propylbutan-1-amine
CID 79761932
4-(1-ethylimidazol-2-yl)-N-methyl-1-phenylbutan-1-amine
CID 79761574
N-methyl-3-(1-methylimidazol-2-yl)-1-pyridazin-4-ylpropan-1-amine
CID 105187782
3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine
CID 64503955
N-methyl-3-(1-methylimidazol-2-yl)-1-pyrimidin-2-ylpropan-1-amine
CID 114530008
2-(3-bromo-3-phenylpropyl)-1-methylimidazole
CID 64509692
1-(2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529894
N-methyl-3-(1-methylimidazol-2-yl)-1-(6-methyl-3-pyridinyl)propan-1-amine
CID 105187738
2-(5-bromohexyl)-1-methylimidazole
CID 114532192
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
N-methyl-4-(1-methylimidazol-2-yl)butan-1-amine
CID 79762044
N-methyl-4-(1-methylimidazol-2-yl)-1-phenoxybutan-2-amine
CID 114530119

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(1-methylimidazol-2-yl)-1-phenylpentan-1-amine?
The IUPAC name of N-methyl-5-(1-methylimidazol-2-yl)-1-phenylpentan-1-amine (CID 114532132) is N-methyl-5-(1-methylimidazol-2-yl)-1-phenylpentan-1-amine.
What is the SMILES notation for N-methyl-5-(1-methylimidazol-2-yl)-1-phenylpentan-1-amine?
The canonical SMILES for N-methyl-5-(1-methylimidazol-2-yl)-1-phenylpentan-1-amine is CNC(CCCCc1nccn1C)c1ccccc1.
What is the InChIKey of N-methyl-5-(1-methylimidazol-2-yl)-1-phenylpentan-1-amine?
The InChIKey is XARBRDBYNAQZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-17-15(14-8-4-3-5-9-14)10-6-7-11-16-18-12-13-19(16)2/h3-5,8-9,12-13,15,17H,6-7,10-11H2,1-2H3.
What are the key properties of N-methyl-5-(1-methylimidazol-2-yl)-1-phenylpentan-1-amine?
N-methyl-5-(1-methylimidazol-2-yl)-1-phenylpentan-1-amine has a molecular weight of 257.38 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 N-methyl-5-(1-methylimidazol-2-yl)-1-phenylpentan-1-amine is sourced from PubChem (CID 114532132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).