4-methyl-N-(1-phenylbutyl)pentan-2-imine

C16H25N — CID 139668090

IUPAC4-methyl-N-(1-phenylbutyl)pentan-2-imine
SMILESCCCC(/N=C(\C)CC(C)C)c1ccccc1
InChIInChI=1S/C16H25N/c1-5-9-16(15-10-7-6-8-11-15)17-14(4)12-13(2)3/h6-8,10-11,13,16H,5,9,12H2,1-4H3/b17-14+
InChIKeyQTOWQZGGTSPMMN-SAPNQHFASA-N
MW231.38 g/mol
LogP5.03
Rot. Bonds6

About 4-methyl-N-(1-phenylbutyl)pentan-2-imine

4-methyl-N-(1-phenylbutyl)pentan-2-imine (PubChem CID 139668090) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 4-methyl-N-(1-phenylbutyl)pentan-2-imine.

Molecular Properties

Compound Name4-methyl-N-(1-phenylbutyl)pentan-2-imine
PubChem CID139668090
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name4-methyl-N-(1-phenylbutyl)pentan-2-imine
SMILESCCCC(/N=C(\C)CC(C)C)c1ccccc1
InChIInChI=1S/C16H25N/c1-5-9-16(15-10-7-6-8-11-15)17-14(4)12-13(2)3/h6-8,10-11,13,16H,5,9,12H2,1-4H3/b17-14+
InChIKeyQTOWQZGGTSPMMN-SAPNQHFASA-N
XLogP5.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500231.38
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-phenylbutyl)ethanimine
CID 139668089
pentan-2-ylbenzene
CID 17627
1-phenylbutylsilane
CID 173332415
CID 19876403
CID 19876403
(1-iodo-2-methylpentyl)benzene
CID 174742530
5-methyl-3-phenyloctan-4-ol
CID 107894691
(E)-N-diphenylphosphinothioyl-4-methylpentan-2-imine
CID 135073200
1-phenyl-2-propylpentan-1-ol
CID 82987900
N-[(2S)-pentan-2-yl]-3,3-diphenylpropanamide
CID 2268559
1-amino-4-methyl-2-phenylheptan-3-ol
CID 65186108
azidoethane;butan-2-ylbenzene
CID 161488287
2,3-dimethylbutane;2-methylbutane;[(2R)-3-methylbutan-2-yl]benzene;2-methylpentane
CID 158273528

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-phenylbutyl)pentan-2-imine?
The IUPAC name of 4-methyl-N-(1-phenylbutyl)pentan-2-imine (CID 139668090) is 4-methyl-N-(1-phenylbutyl)pentan-2-imine.
What is the SMILES notation for 4-methyl-N-(1-phenylbutyl)pentan-2-imine?
The canonical SMILES for 4-methyl-N-(1-phenylbutyl)pentan-2-imine is CCCC(/N=C(\C)CC(C)C)c1ccccc1.
What is the InChIKey of 4-methyl-N-(1-phenylbutyl)pentan-2-imine?
The InChIKey is QTOWQZGGTSPMMN-SAPNQHFASA-N. The full InChI is InChI=1S/C16H25N/c1-5-9-16(15-10-7-6-8-11-15)17-14(4)12-13(2)3/h6-8,10-11,13,16H,5,9,12H2,1-4H3/b17-14+.
What are the key properties of 4-methyl-N-(1-phenylbutyl)pentan-2-imine?
4-methyl-N-(1-phenylbutyl)pentan-2-imine has a molecular weight of 231.38 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-phenylbutyl)pentan-2-imine is sourced from PubChem (CID 139668090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).