(Z)-3-N-methyl-1-N-methylidenedec-1-ene-1,3-diimine

C12H22N2 — CID 166732976

IUPAC(Z)-3-N-methyl-1-N-methylidenedec-1-ene-1,3-diimine
SMILESC=N/C=C\C(CCCCCCC)=N\C
InChIInChI=1S/C12H22N2/c1-4-5-6-7-8-9-12(14-3)10-11-13-2/h10-11H,2,4-9H2,1,3H3/b11-10-,14-12+
InChIKeyXPTYTJWPDQVXNY-HSINTONASA-N
MW194.32 g/mol
LogP3.63
Rot. Bonds8

About (Z)-3-N-methyl-1-N-methylidenedec-1-ene-1,3-diimine

(Z)-3-N-methyl-1-N-methylidenedec-1-ene-1,3-diimine (PubChem CID 166732976) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (Z)-3-N-methyl-1-N-methylidenedec-1-ene-1,3-diimine.

Molecular Properties

Compound Name(Z)-3-N-methyl-1-N-methylidenedec-1-ene-1,3-diimine
PubChem CID166732976
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(Z)-3-N-methyl-1-N-methylidenedec-1-ene-1,3-diimine
SMILESC=N/C=C\C(CCCCCCC)=N\C
InChIInChI=1S/C12H22N2/c1-4-5-6-7-8-9-12(14-3)10-11-13-2/h10-11H,2,4-9H2,1,3H3/b11-10-,14-12+
InChIKeyXPTYTJWPDQVXNY-HSINTONASA-N
XLogP3.63
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (Z)-3-N-methyl-1-N-methylidenedec-1-ene-1,3-diimine?
The IUPAC name of (Z)-3-N-methyl-1-N-methylidenedec-1-ene-1,3-diimine (CID 166732976) is (Z)-3-N-methyl-1-N-methylidenedec-1-ene-1,3-diimine.
What is the SMILES notation for (Z)-3-N-methyl-1-N-methylidenedec-1-ene-1,3-diimine?
The canonical SMILES for (Z)-3-N-methyl-1-N-methylidenedec-1-ene-1,3-diimine is C=N/C=C\C(CCCCCCC)=N\C.
What is the InChIKey of (Z)-3-N-methyl-1-N-methylidenedec-1-ene-1,3-diimine?
The InChIKey is XPTYTJWPDQVXNY-HSINTONASA-N. The full InChI is InChI=1S/C12H22N2/c1-4-5-6-7-8-9-12(14-3)10-11-13-2/h10-11H,2,4-9H2,1,3H3/b11-10-,14-12+.
What are the key properties of (Z)-3-N-methyl-1-N-methylidenedec-1-ene-1,3-diimine?
(Z)-3-N-methyl-1-N-methylidenedec-1-ene-1,3-diimine has a molecular weight of 194.32 g/mol, XLogP of 3.63, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-N-methyl-1-N-methylidenedec-1-ene-1,3-diimine is sourced from PubChem (CID 166732976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).