1-(4-methylphenyl)-N-nonylmethanimine

C17H27N — CID 525728

IUPAC1-(4-methylphenyl)-N-nonylmethanimine
SMILESCCCCCCCCC/N=C/c1ccc(C)cc1
InChIInChI=1S/C17H27N/c1-3-4-5-6-7-8-9-14-18-15-17-12-10-16(2)11-13-17/h10-13,15H,3-9,14H2,1-2H3/b18-15+
InChIKeySENYKNXREVVVCS-OBGWFSINSA-N
MW245.41 g/mol
LogP5.16
Rot. Bonds9

About 1-(4-methylphenyl)-N-nonylmethanimine

1-(4-methylphenyl)-N-nonylmethanimine (PubChem CID 525728) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-nonylmethanimine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-nonylmethanimine
PubChem CID525728
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-(4-methylphenyl)-N-nonylmethanimine
SMILESCCCCCCCCC/N=C/c1ccc(C)cc1
InChIInChI=1S/C17H27N/c1-3-4-5-6-7-8-9-14-18-15-17-12-10-16(2)11-13-17/h10-13,15H,3-9,14H2,1-2H3/b18-15+
InChIKeySENYKNXREVVVCS-OBGWFSINSA-N
XLogP5.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.41
LogP ≤ 55.16
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-decyl-1-[4-(decyliminomethyl)phenyl]methanimine
CID 101093995
N-decyl-1-(4-phenylphenyl)methanimine
CID 86187503
1-(4-bromophenyl)-N-decylmethanimine
CID 525668
4-(hexyliminomethyl)benzaldehyde
CID 87557780
1-(4-ethenylphenyl)-N-hexylmethanimine
CID 66742447
N-hexyl-1-(4-prop-1-en-2-ylphenyl)methanimine
CID 90407063
4-(decyliminomethyl)-N,N-dimethylaniline
CID 160905349
N-hexadecyl-1-(4-methoxyphenyl)methanimine
CID 102417152
[4-(dodecyliminomethyl)phenyl]-diethyl-methylazanium iodide
CID 175685800
N-butyl-1-[4-[(4-methylphenyl)methoxy]phenyl]methanimine;ethane
CID 145260574
N-hexyl-1-naphthalen-2-ylmethanimine
CID 10857572
(E)-N-[(E)-(4-hexylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 20845118

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-nonylmethanimine?
The IUPAC name of 1-(4-methylphenyl)-N-nonylmethanimine (CID 525728) is 1-(4-methylphenyl)-N-nonylmethanimine.
What is the SMILES notation for 1-(4-methylphenyl)-N-nonylmethanimine?
The canonical SMILES for 1-(4-methylphenyl)-N-nonylmethanimine is CCCCCCCCC/N=C/c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-nonylmethanimine?
The InChIKey is SENYKNXREVVVCS-OBGWFSINSA-N. The full InChI is InChI=1S/C17H27N/c1-3-4-5-6-7-8-9-14-18-15-17-12-10-16(2)11-13-17/h10-13,15H,3-9,14H2,1-2H3/b18-15+.
What are the key properties of 1-(4-methylphenyl)-N-nonylmethanimine?
1-(4-methylphenyl)-N-nonylmethanimine has a molecular weight of 245.41 g/mol, XLogP of 5.16, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-nonylmethanimine is sourced from PubChem (CID 525728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).