N-(1-phenylbutyl)ethanimine

C12H17N — CID 139668089

IUPACN-(1-phenylbutyl)ethanimine
SMILESC/C=N/C(CCC)c1ccccc1
InChIInChI=1S/C12H17N/c1-3-8-12(13-4-2)11-9-6-5-7-10-11/h4-7,9-10,12H,3,8H2,1-2H3/b13-4+
InChIKeyOBGLZESPIWOOPI-YIXHJXPBSA-N
MW175.27 g/mol
LogP3.62
Rot. Bonds4

About N-(1-phenylbutyl)ethanimine

N-(1-phenylbutyl)ethanimine (PubChem CID 139668089) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is N-(1-phenylbutyl)ethanimine.

Molecular Properties

Compound NameN-(1-phenylbutyl)ethanimine
PubChem CID139668089
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC NameN-(1-phenylbutyl)ethanimine
SMILESC/C=N/C(CCC)c1ccccc1
InChIInChI=1S/C12H17N/c1-3-8-12(13-4-2)11-9-6-5-7-10-11/h4-7,9-10,12H,3,8H2,1-2H3/b13-4+
InChIKeyOBGLZESPIWOOPI-YIXHJXPBSA-N
XLogP3.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.62
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-phenyl-3-(tributylstannylmethoxy)propyl]ethanimine
CID 160812472
CID 19876403
CID 19876403
4-methyl-N-(1-phenylbutyl)pentan-2-imine
CID 139668090
pentan-2-ylbenzene
CID 17627
1-phenylbutylsilane
CID 173332415
potassium 1-phenylbutan-1-olate
CID 70503284
sodium 1-phenylbutan-1-olate
CID 70503341
1-phenyl-N-prop-2-enylbutan-1-amine
CID 43177099
1,1-diphenylhexan-3-ylbenzene
CID 57087261
1-chloropentan-2-ylbenzene
CID 524326
2-phenylpentan-1-amine
CID 14321247
1-phenyl-2-propylpentan-1-ol
CID 82987900

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylbutyl)ethanimine?
The IUPAC name of N-(1-phenylbutyl)ethanimine (CID 139668089) is N-(1-phenylbutyl)ethanimine.
What is the SMILES notation for N-(1-phenylbutyl)ethanimine?
The canonical SMILES for N-(1-phenylbutyl)ethanimine is C/C=N/C(CCC)c1ccccc1.
What is the InChIKey of N-(1-phenylbutyl)ethanimine?
The InChIKey is OBGLZESPIWOOPI-YIXHJXPBSA-N. The full InChI is InChI=1S/C12H17N/c1-3-8-12(13-4-2)11-9-6-5-7-10-11/h4-7,9-10,12H,3,8H2,1-2H3/b13-4+.
What are the key properties of N-(1-phenylbutyl)ethanimine?
N-(1-phenylbutyl)ethanimine has a molecular weight of 175.27 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylbutyl)ethanimine is sourced from PubChem (CID 139668089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).