N-[(2Z,4Z)-9-methyldeca-2,4-dien-5-yl]methanimine

C12H21N — CID 130437085

IUPACN-[(2Z,4Z)-9-methyldeca-2,4-dien-5-yl]methanimine
SMILESC=N/C(=C\C=C/C)CCCC(C)C
InChIInChI=1S/C12H21N/c1-5-6-9-12(13-4)10-7-8-11(2)3/h5-6,9,11H,4,7-8,10H2,1-3H3/b6-5-,12-9-
InChIKeyHUPLOZSOBALPBE-ZGCJARKRSA-N
MW179.31 g/mol
LogP3.97
Rot. Bonds6

About N-[(2Z,4Z)-9-methyldeca-2,4-dien-5-yl]methanimine

N-[(2Z,4Z)-9-methyldeca-2,4-dien-5-yl]methanimine (PubChem CID 130437085) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-[(2Z,4Z)-9-methyldeca-2,4-dien-5-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z,4Z)-9-methyldeca-2,4-dien-5-yl]methanimine
PubChem CID130437085
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-[(2Z,4Z)-9-methyldeca-2,4-dien-5-yl]methanimine
SMILESC=N/C(=C\C=C/C)CCCC(C)C
InChIInChI=1S/C12H21N/c1-5-6-9-12(13-4)10-7-8-11(2)3/h5-6,9,11H,4,7-8,10H2,1-3H3/b6-5-,12-9-
InChIKeyHUPLOZSOBALPBE-ZGCJARKRSA-N
XLogP3.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z)-9-methyldeca-2,4-dien-5-yl]methanimine?
The IUPAC name of N-[(2Z,4Z)-9-methyldeca-2,4-dien-5-yl]methanimine (CID 130437085) is N-[(2Z,4Z)-9-methyldeca-2,4-dien-5-yl]methanimine.
What is the SMILES notation for N-[(2Z,4Z)-9-methyldeca-2,4-dien-5-yl]methanimine?
The canonical SMILES for N-[(2Z,4Z)-9-methyldeca-2,4-dien-5-yl]methanimine is C=N/C(=C\C=C/C)CCCC(C)C.
What is the InChIKey of N-[(2Z,4Z)-9-methyldeca-2,4-dien-5-yl]methanimine?
The InChIKey is HUPLOZSOBALPBE-ZGCJARKRSA-N. The full InChI is InChI=1S/C12H21N/c1-5-6-9-12(13-4)10-7-8-11(2)3/h5-6,9,11H,4,7-8,10H2,1-3H3/b6-5-,12-9-.
What are the key properties of N-[(2Z,4Z)-9-methyldeca-2,4-dien-5-yl]methanimine?
N-[(2Z,4Z)-9-methyldeca-2,4-dien-5-yl]methanimine has a molecular weight of 179.31 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-9-methyldeca-2,4-dien-5-yl]methanimine is sourced from PubChem (CID 130437085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).