N-heptyl-1-phenylmethanimine

C14H21N — CID 525555

IUPACN-heptyl-1-phenylmethanimine
SMILESCCCCCCC/N=C/c1ccccc1
InChIInChI=1S/C14H21N/c1-2-3-4-5-9-12-15-13-14-10-7-6-8-11-14/h6-8,10-11,13H,2-5,9,12H2,1H3/b15-13+
InChIKeyCUFHCAQQFUCBES-FYWRMAATSA-N
MW203.33 g/mol
LogP4.08
Rot. Bonds7

About N-heptyl-1-phenylmethanimine

N-heptyl-1-phenylmethanimine (PubChem CID 525555) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-heptyl-1-phenylmethanimine.

Molecular Properties

Compound NameN-heptyl-1-phenylmethanimine
PubChem CID525555
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-heptyl-1-phenylmethanimine
SMILESCCCCCCC/N=C/c1ccccc1
InChIInChI=1S/C14H21N/c1-2-3-4-5-9-12-15-13-14-10-7-6-8-11-14/h6-8,10-11,13H,2-5,9,12H2,1H3/b15-13+
InChIKeyCUFHCAQQFUCBES-FYWRMAATSA-N
XLogP4.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.08
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-heptyl-1-phenylmethanimine?
The IUPAC name of N-heptyl-1-phenylmethanimine (CID 525555) is N-heptyl-1-phenylmethanimine.
What is the SMILES notation for N-heptyl-1-phenylmethanimine?
The canonical SMILES for N-heptyl-1-phenylmethanimine is CCCCCCC/N=C/c1ccccc1.
What is the InChIKey of N-heptyl-1-phenylmethanimine?
The InChIKey is CUFHCAQQFUCBES-FYWRMAATSA-N. The full InChI is InChI=1S/C14H21N/c1-2-3-4-5-9-12-15-13-14-10-7-6-8-11-14/h6-8,10-11,13H,2-5,9,12H2,1H3/b15-13+.
What are the key properties of N-heptyl-1-phenylmethanimine?
N-heptyl-1-phenylmethanimine has a molecular weight of 203.33 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-1-phenylmethanimine is sourced from PubChem (CID 525555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).