(3Z)-1-N,8-dimethyl-2-N-propylundeca-3,7,9-triene-1,2-diimine

C16H26N2 — CID 123272046

IUPAC(3Z)-1-N,8-dimethyl-2-N-propylundeca-3,7,9-triene-1,2-diimine
SMILESCC=CC(C)=CCC/C=C\C(\C=N\C)=N\CCC
InChIInChI=1S/C16H26N2/c1-5-10-15(3)11-8-7-9-12-16(14-17-4)18-13-6-2/h5,9-12,14H,6-8,13H2,1-4H3/b10-5?,12-9-,15-11?,17-14+,18-16-
InChIKeyTYZJKDCISHFQGU-OLBMBNRESA-N
MW246.40 g/mol
LogP4.40
Rot. Bonds8

About (3Z)-1-N,8-dimethyl-2-N-propylundeca-3,7,9-triene-1,2-diimine

(3Z)-1-N,8-dimethyl-2-N-propylundeca-3,7,9-triene-1,2-diimine (PubChem CID 123272046) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (3Z)-1-N,8-dimethyl-2-N-propylundeca-3,7,9-triene-1,2-diimine.

Molecular Properties

Compound Name(3Z)-1-N,8-dimethyl-2-N-propylundeca-3,7,9-triene-1,2-diimine
PubChem CID123272046
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name(3Z)-1-N,8-dimethyl-2-N-propylundeca-3,7,9-triene-1,2-diimine
SMILESCC=CC(C)=CCC/C=C\C(\C=N\C)=N\CCC
InChIInChI=1S/C16H26N2/c1-5-10-15(3)11-8-7-9-12-16(14-17-4)18-13-6-2/h5,9-12,14H,6-8,13H2,1-4H3/b10-5?,12-9-,15-11?,17-14+,18-16-
InChIKeyTYZJKDCISHFQGU-OLBMBNRESA-N
XLogP4.40
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.40
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3Z)-1-N,8-dimethyl-2-N-propylundeca-3,7,9-triene-1,2-diimine?
The IUPAC name of (3Z)-1-N,8-dimethyl-2-N-propylundeca-3,7,9-triene-1,2-diimine (CID 123272046) is (3Z)-1-N,8-dimethyl-2-N-propylundeca-3,7,9-triene-1,2-diimine.
What is the SMILES notation for (3Z)-1-N,8-dimethyl-2-N-propylundeca-3,7,9-triene-1,2-diimine?
The canonical SMILES for (3Z)-1-N,8-dimethyl-2-N-propylundeca-3,7,9-triene-1,2-diimine is CC=CC(C)=CCC/C=C\C(\C=N\C)=N\CCC.
What is the InChIKey of (3Z)-1-N,8-dimethyl-2-N-propylundeca-3,7,9-triene-1,2-diimine?
The InChIKey is TYZJKDCISHFQGU-OLBMBNRESA-N. The full InChI is InChI=1S/C16H26N2/c1-5-10-15(3)11-8-7-9-12-16(14-17-4)18-13-6-2/h5,9-12,14H,6-8,13H2,1-4H3/b10-5?,12-9-,15-11?,17-14+,18-16-.
What are the key properties of (3Z)-1-N,8-dimethyl-2-N-propylundeca-3,7,9-triene-1,2-diimine?
(3Z)-1-N,8-dimethyl-2-N-propylundeca-3,7,9-triene-1,2-diimine has a molecular weight of 246.40 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-N,8-dimethyl-2-N-propylundeca-3,7,9-triene-1,2-diimine is sourced from PubChem (CID 123272046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).