N-[(4Z,6Z)-2,9-dimethyl-2-propyldeca-4,6,8-trienylidene]-N'-methylmethanimidamide

C17H28N2 — CID 137383651

IUPACN-[(4Z,6Z)-2,9-dimethyl-2-propyldeca-4,6,8-trienylidene]-N'-methylmethanimidamide
SMILESCCCC(C)(/C=N/C=N/C)C/C=C\C=C/C=C(C)C
InChIInChI=1S/C17H28N2/c1-6-12-17(4,14-19-15-18-5)13-10-8-7-9-11-16(2)3/h7-11,14-15H,6,12-13H2,1-5H3/b9-7-,10-8-,18-15+,19-14+
InChIKeyHPTNDSGPVNCBRY-OZPLDTJXSA-N
MW260.43 g/mol
LogP4.99
Rot. Bonds8

About N-[(4Z,6Z)-2,9-dimethyl-2-propyldeca-4,6,8-trienylidene]-N'-methylmethanimidamide

N-[(4Z,6Z)-2,9-dimethyl-2-propyldeca-4,6,8-trienylidene]-N'-methylmethanimidamide (PubChem CID 137383651) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[(4Z,6Z)-2,9-dimethyl-2-propyldeca-4,6,8-trienylidene]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[(4Z,6Z)-2,9-dimethyl-2-propyldeca-4,6,8-trienylidene]-N'-methylmethanimidamide
PubChem CID137383651
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[(4Z,6Z)-2,9-dimethyl-2-propyldeca-4,6,8-trienylidene]-N'-methylmethanimidamide
SMILESCCCC(C)(/C=N/C=N/C)C/C=C\C=C/C=C(C)C
InChIInChI=1S/C17H28N2/c1-6-12-17(4,14-19-15-18-5)13-10-8-7-9-11-16(2)3/h7-11,14-15H,6,12-13H2,1-5H3/b9-7-,10-8-,18-15+,19-14+
InChIKeyHPTNDSGPVNCBRY-OZPLDTJXSA-N
XLogP4.99
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2,7-dimethylocta-4,6-dien-2-ol
CID 527419
2-methyloctatetraconta-2,4,6-triene
CID 165175383
(4E)-2,7-dimethylocta-2,4,6-triene
CID 11116127
2-ethyl-2-(2-methyliminoethyl)pentan-1-ol
CID 163575791
2-methyldeca-2,4,6-trienoic acid
CID 54490128
3-methyldeca-4,6-dien-3-ol
CID 54203983
N,3-dimethylbut-2-en-1-imine;propane
CID 163403492
3-ethyl-3-methylnona-1,5,7-triene
CID 123256755
2-methyldeca-2,4,6,8-tetraene
CID 123313204
2-methyltetradeca-2,4,6,8,10,12-hexaene
CID 72567686
(3S)-3-ethyl-3-methylhex-1-ene;propane-2,2-diol
CID 155705363
3-methylundeca-2,5,7-triene
CID 56999548

Frequently Asked Questions

What is the IUPAC name of N-[(4Z,6Z)-2,9-dimethyl-2-propyldeca-4,6,8-trienylidene]-N'-methylmethanimidamide?
The IUPAC name of N-[(4Z,6Z)-2,9-dimethyl-2-propyldeca-4,6,8-trienylidene]-N'-methylmethanimidamide (CID 137383651) is N-[(4Z,6Z)-2,9-dimethyl-2-propyldeca-4,6,8-trienylidene]-N'-methylmethanimidamide.
What is the SMILES notation for N-[(4Z,6Z)-2,9-dimethyl-2-propyldeca-4,6,8-trienylidene]-N'-methylmethanimidamide?
The canonical SMILES for N-[(4Z,6Z)-2,9-dimethyl-2-propyldeca-4,6,8-trienylidene]-N'-methylmethanimidamide is CCCC(C)(/C=N/C=N/C)C/C=C\C=C/C=C(C)C.
What is the InChIKey of N-[(4Z,6Z)-2,9-dimethyl-2-propyldeca-4,6,8-trienylidene]-N'-methylmethanimidamide?
The InChIKey is HPTNDSGPVNCBRY-OZPLDTJXSA-N. The full InChI is InChI=1S/C17H28N2/c1-6-12-17(4,14-19-15-18-5)13-10-8-7-9-11-16(2)3/h7-11,14-15H,6,12-13H2,1-5H3/b9-7-,10-8-,18-15+,19-14+.
What are the key properties of N-[(4Z,6Z)-2,9-dimethyl-2-propyldeca-4,6,8-trienylidene]-N'-methylmethanimidamide?
N-[(4Z,6Z)-2,9-dimethyl-2-propyldeca-4,6,8-trienylidene]-N'-methylmethanimidamide has a molecular weight of 260.43 g/mol, XLogP of 4.99, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z,6Z)-2,9-dimethyl-2-propyldeca-4,6,8-trienylidene]-N'-methylmethanimidamide is sourced from PubChem (CID 137383651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).