N-[(Z)-7-methyldodec-6-en-6-yl]methanimine

C14H27N — CID 88555446

IUPACN-[(Z)-7-methyldodec-6-en-6-yl]methanimine
SMILESC=N/C(CCCCC)=C(/C)CCCCC
InChIInChI=1S/C14H27N/c1-5-7-9-11-13(3)14(15-4)12-10-8-6-2/h4-12H2,1-3H3/b14-13-
InChIKeyBMLNDEODCORIAE-YPKPFQOOSA-N
MW209.38 g/mol
LogP5.12
Rot. Bonds9

About N-[(Z)-7-methyldodec-6-en-6-yl]methanimine

N-[(Z)-7-methyldodec-6-en-6-yl]methanimine (PubChem CID 88555446) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-[(Z)-7-methyldodec-6-en-6-yl]methanimine.

Molecular Properties

Compound NameN-[(Z)-7-methyldodec-6-en-6-yl]methanimine
PubChem CID88555446
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-[(Z)-7-methyldodec-6-en-6-yl]methanimine
SMILESC=N/C(CCCCC)=C(/C)CCCCC
InChIInChI=1S/C14H27N/c1-5-7-9-11-13(3)14(15-4)12-10-8-6-2/h4-12H2,1-3H3/b14-13-
InChIKeyBMLNDEODCORIAE-YPKPFQOOSA-N
XLogP5.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500209.38
LogP ≤ 55.12
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-7-methyldodec-6-en-6-yl]methanimine?
The IUPAC name of N-[(Z)-7-methyldodec-6-en-6-yl]methanimine (CID 88555446) is N-[(Z)-7-methyldodec-6-en-6-yl]methanimine.
What is the SMILES notation for N-[(Z)-7-methyldodec-6-en-6-yl]methanimine?
The canonical SMILES for N-[(Z)-7-methyldodec-6-en-6-yl]methanimine is C=N/C(CCCCC)=C(/C)CCCCC.
What is the InChIKey of N-[(Z)-7-methyldodec-6-en-6-yl]methanimine?
The InChIKey is BMLNDEODCORIAE-YPKPFQOOSA-N. The full InChI is InChI=1S/C14H27N/c1-5-7-9-11-13(3)14(15-4)12-10-8-6-2/h4-12H2,1-3H3/b14-13-.
What are the key properties of N-[(Z)-7-methyldodec-6-en-6-yl]methanimine?
N-[(Z)-7-methyldodec-6-en-6-yl]methanimine has a molecular weight of 209.38 g/mol, XLogP of 5.12, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-7-methyldodec-6-en-6-yl]methanimine is sourced from PubChem (CID 88555446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).