N-[(6Z)-2-methyldeca-3,6,9-trien-3-yl]methanimine

C12H19N — CID 135161413

IUPACN-[(6Z)-2-methyldeca-3,6,9-trien-3-yl]methanimine
SMILESC=CC/C=C\CC=C(N=C)C(C)C
InChIInChI=1S/C12H19N/c1-5-6-7-8-9-10-12(13-4)11(2)3/h5,7-8,10-11H,1,4,6,9H2,2-3H3/b8-7-,12-10?
InChIKeyRANFERXVILEJSW-FIWSIPJWSA-N
MW177.29 g/mol
LogP3.75
Rot. Bonds6

About N-[(6Z)-2-methyldeca-3,6,9-trien-3-yl]methanimine

N-[(6Z)-2-methyldeca-3,6,9-trien-3-yl]methanimine (PubChem CID 135161413) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-[(6Z)-2-methyldeca-3,6,9-trien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(6Z)-2-methyldeca-3,6,9-trien-3-yl]methanimine
PubChem CID135161413
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-[(6Z)-2-methyldeca-3,6,9-trien-3-yl]methanimine
SMILESC=CC/C=C\CC=C(N=C)C(C)C
InChIInChI=1S/C12H19N/c1-5-6-7-8-9-10-12(13-4)11(2)3/h5,7-8,10-11H,1,4,6,9H2,2-3H3/b8-7-,12-10?
InChIKeyRANFERXVILEJSW-FIWSIPJWSA-N
XLogP3.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(6Z)-2-methyldeca-3,6,9-trien-3-yl]methanimine?
The IUPAC name of N-[(6Z)-2-methyldeca-3,6,9-trien-3-yl]methanimine (CID 135161413) is N-[(6Z)-2-methyldeca-3,6,9-trien-3-yl]methanimine.
What is the SMILES notation for N-[(6Z)-2-methyldeca-3,6,9-trien-3-yl]methanimine?
The canonical SMILES for N-[(6Z)-2-methyldeca-3,6,9-trien-3-yl]methanimine is C=CC/C=C\CC=C(N=C)C(C)C.
What is the InChIKey of N-[(6Z)-2-methyldeca-3,6,9-trien-3-yl]methanimine?
The InChIKey is RANFERXVILEJSW-FIWSIPJWSA-N. The full InChI is InChI=1S/C12H19N/c1-5-6-7-8-9-10-12(13-4)11(2)3/h5,7-8,10-11H,1,4,6,9H2,2-3H3/b8-7-,12-10?.
What are the key properties of N-[(6Z)-2-methyldeca-3,6,9-trien-3-yl]methanimine?
N-[(6Z)-2-methyldeca-3,6,9-trien-3-yl]methanimine has a molecular weight of 177.29 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6Z)-2-methyldeca-3,6,9-trien-3-yl]methanimine is sourced from PubChem (CID 135161413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).