N'-[(Z)-prop-1-enyl]-N-[(4Z)-3,4,5-trimethylnona-1,4-dien-2-yl]ethanimidamide

C17H30N2 — CID 156791241

IUPACN'-[(Z)-prop-1-enyl]-N-[(4Z)-3,4,5-trimethylnona-1,4-dien-2-yl]ethanimidamide
SMILESC=C(N/C(C)=N/C=C\C)C(C)/C(C)=C(/C)CCCC
InChIInChI=1S/C17H30N2/c1-8-10-11-13(3)14(4)15(5)16(6)19-17(7)18-12-9-2/h9,12,15H,6,8,10-11H2,1-5,7H3,(H,18,19)/b12-9-,14-13-
InChIKeySUKLWAIQPZEJQS-PVFXFQJZSA-N
MW262.44 g/mol
LogP5.20
Rot. Bonds7

About N'-[(Z)-prop-1-enyl]-N-[(4Z)-3,4,5-trimethylnona-1,4-dien-2-yl]ethanimidamide

N'-[(Z)-prop-1-enyl]-N-[(4Z)-3,4,5-trimethylnona-1,4-dien-2-yl]ethanimidamide (PubChem CID 156791241) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N'-[(Z)-prop-1-enyl]-N-[(4Z)-3,4,5-trimethylnona-1,4-dien-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-prop-1-enyl]-N-[(4Z)-3,4,5-trimethylnona-1,4-dien-2-yl]ethanimidamide
PubChem CID156791241
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN'-[(Z)-prop-1-enyl]-N-[(4Z)-3,4,5-trimethylnona-1,4-dien-2-yl]ethanimidamide
SMILESC=C(N/C(C)=N/C=C\C)C(C)/C(C)=C(/C)CCCC
InChIInChI=1S/C17H30N2/c1-8-10-11-13(3)14(4)15(5)16(6)19-17(7)18-12-9-2/h9,12,15H,6,8,10-11H2,1-5,7H3,(H,18,19)/b12-9-,14-13-
InChIKeySUKLWAIQPZEJQS-PVFXFQJZSA-N
XLogP5.20
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.20
H-Bond Donors ≤ 51
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[N-(4-fluoro-5-methyl-2-methylidenehept-3-enyl)-C-methylcarbonimidoyl]-6-methyl-3-methylidene-N-prop-1-enyl-1,4-dihydropyridin-2-imine
CID 137031858
N'-[(E)-but-1-enyl]-N-[(2E,6E)-7-[(Z)-ethylideneamino]-7-fluoro-5-methylhepta-2,6-dien-2-yl]ethanimidamide
CID 144357036
5-ethyl-N-[(3E)-2-imino-6-methylhepta-3,6-dien-3-yl]-3,4-dimethyl-3,4-dihydropyridin-2-amine
CID 90950644
2-methyl-8-methylidene-7-nona-3,6,8-trienyl-4-propyl-4,5-dihydro-1H-1,3-diazocine
CID 123682734
N-[(3Z,5E)-2,5-dimethylocta-3,5,7-trien-3-yl]-N'-ethenylethanimidamide
CID 130179060
N-[(4Z,6E)-3,6-dimethylnona-4,6,8-trien-4-yl]-N'-ethenylethanimidamide
CID 134214393
N-[(3Z,5Z)-5-ethylidene-6-propyldeca-1,3-dien-2-yl]-N'-[(1Z)-2-ethyl-3-methylbuta-1,3-dienyl]ethanimidamide
CID 134365026
N-[(1Z,5E)-3-ethyl-3-methyl-1-(propylamino)octa-1,5-dien-2-yl]-N'-methylethanimidamide
CID 139314352
6-methyl-N-(2-methylpropyl)-3,4-dihydro-1H-pyridin-2-imine
CID 156227203
(Z)-N-but-1-en-2-yl-N'-[(4-ethylcyclopenta-1,3-dien-1-yl)methyl]but-2-enimidamide
CID 156480061
N'-methyl-N-[(6E)-6-methylnona-1,6-dien-2-yl]ethanimidamide
CID 156544655
N-[(2Z)-6-methylhepta-2,6-dien-3-yl]-N'-[(Z)-prop-1-enyl]ethanimidamide
CID 173908905

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-prop-1-enyl]-N-[(4Z)-3,4,5-trimethylnona-1,4-dien-2-yl]ethanimidamide?
The IUPAC name of N'-[(Z)-prop-1-enyl]-N-[(4Z)-3,4,5-trimethylnona-1,4-dien-2-yl]ethanimidamide (CID 156791241) is N'-[(Z)-prop-1-enyl]-N-[(4Z)-3,4,5-trimethylnona-1,4-dien-2-yl]ethanimidamide.
What is the SMILES notation for N'-[(Z)-prop-1-enyl]-N-[(4Z)-3,4,5-trimethylnona-1,4-dien-2-yl]ethanimidamide?
The canonical SMILES for N'-[(Z)-prop-1-enyl]-N-[(4Z)-3,4,5-trimethylnona-1,4-dien-2-yl]ethanimidamide is C=C(N/C(C)=N/C=C\C)C(C)/C(C)=C(/C)CCCC.
What is the InChIKey of N'-[(Z)-prop-1-enyl]-N-[(4Z)-3,4,5-trimethylnona-1,4-dien-2-yl]ethanimidamide?
The InChIKey is SUKLWAIQPZEJQS-PVFXFQJZSA-N. The full InChI is InChI=1S/C17H30N2/c1-8-10-11-13(3)14(4)15(5)16(6)19-17(7)18-12-9-2/h9,12,15H,6,8,10-11H2,1-5,7H3,(H,18,19)/b12-9-,14-13-.
What are the key properties of N'-[(Z)-prop-1-enyl]-N-[(4Z)-3,4,5-trimethylnona-1,4-dien-2-yl]ethanimidamide?
N'-[(Z)-prop-1-enyl]-N-[(4Z)-3,4,5-trimethylnona-1,4-dien-2-yl]ethanimidamide has a molecular weight of 262.44 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-prop-1-enyl]-N-[(4Z)-3,4,5-trimethylnona-1,4-dien-2-yl]ethanimidamide is sourced from PubChem (CID 156791241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).