N-hexyl-1-phenylmethanimine

C13H19N — CID 525556

IUPACN-hexyl-1-phenylmethanimine
SMILESCCCCCC/N=C/c1ccccc1
InChIInChI=1S/C13H19N/c1-2-3-4-8-11-14-12-13-9-6-5-7-10-13/h5-7,9-10,12H,2-4,8,11H2,1H3/b14-12+
InChIKeyCWAMCURXZDICGS-WYMLVPIESA-N
MW189.30 g/mol
LogP3.69
Rot. Bonds6

About N-hexyl-1-phenylmethanimine

N-hexyl-1-phenylmethanimine (PubChem CID 525556) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-hexyl-1-phenylmethanimine.

Molecular Properties

Compound NameN-hexyl-1-phenylmethanimine
PubChem CID525556
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-hexyl-1-phenylmethanimine
SMILESCCCCCC/N=C/c1ccccc1
InChIInChI=1S/C13H19N/c1-2-3-4-8-11-14-12-13-9-6-5-7-10-13/h5-7,9-10,12H,2-4,8,11H2,1H3/b14-12+
InChIKeyCWAMCURXZDICGS-WYMLVPIESA-N
XLogP3.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-tert-Butyl-alpha-phenylnitrone
CID 638877
N-Benzylidenecyclohexylamine
CID 75167
Benzaldehyde azine
CID 5324610
Benzalazine
CID 92130
6-Phenyl-2,3,4,5-tetrahydropyridine
CID 11829725
Methanamine, N-(phenylmethylene)-
CID 73954
2-Propanamine, N-(phenylmethylene)-
CID 95962
3,4-Dihydroisoquinoline
CID 76705
1,2-Ethanediamine, N1,N2-bis(phenylmethylene)-
CID 66033
N-Benzylidenebenzylamine
CID 95831
Ethanamine, N-(phenylmethylene)-
CID 111239
N-benzylidene-2-phenylethanamine
CID 576350

Frequently Asked Questions

What is the IUPAC name of N-hexyl-1-phenylmethanimine?
The IUPAC name of N-hexyl-1-phenylmethanimine (CID 525556) is N-hexyl-1-phenylmethanimine.
What is the SMILES notation for N-hexyl-1-phenylmethanimine?
The canonical SMILES for N-hexyl-1-phenylmethanimine is CCCCCC/N=C/c1ccccc1.
What is the InChIKey of N-hexyl-1-phenylmethanimine?
The InChIKey is CWAMCURXZDICGS-WYMLVPIESA-N. The full InChI is InChI=1S/C13H19N/c1-2-3-4-8-11-14-12-13-9-6-5-7-10-13/h5-7,9-10,12H,2-4,8,11H2,1H3/b14-12+.
What are the key properties of N-hexyl-1-phenylmethanimine?
N-hexyl-1-phenylmethanimine has a molecular weight of 189.30 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-1-phenylmethanimine is sourced from PubChem (CID 525556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).