N-[(Z)-oct-2-en-4-ylidene]methanimidamide

C9H16N2 — CID 118327149

IUPACN-[(Z)-oct-2-en-4-ylidene]methanimidamide
SMILES[H]/N=C/N=C(/C=C\C)CCCC
InChIInChI=1S/C9H16N2/c1-3-5-7-9(6-4-2)11-8-10/h4,6,8,10H,3,5,7H2,1-2H3/b6-4-,10-8+,11-9-
InChIKeyMKMCQXLGVLHMSO-YMPGYVEFSA-N
MW152.24 g/mol
LogP2.80
Rot. Bonds5

About N-[(Z)-oct-2-en-4-ylidene]methanimidamide

N-[(Z)-oct-2-en-4-ylidene]methanimidamide (PubChem CID 118327149) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-[(Z)-oct-2-en-4-ylidene]methanimidamide.

Molecular Properties

Compound NameN-[(Z)-oct-2-en-4-ylidene]methanimidamide
PubChem CID118327149
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-[(Z)-oct-2-en-4-ylidene]methanimidamide
SMILES[H]/N=C/N=C(/C=C\C)CCCC
InChIInChI=1S/C9H16N2/c1-3-5-7-9(6-4-2)11-8-10/h4,6,8,10H,3,5,7H2,1-2H3/b6-4-,10-8+,11-9-
InChIKeyMKMCQXLGVLHMSO-YMPGYVEFSA-N
XLogP2.80
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.80
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'}

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Related Compounds

(Z)-N-ethenylnon-2-en-4-imine
CID 144801095
N-methyldodec-2-en-4-imine
CID 123853785
N-methanimidoylpropanimidoyl chloride
CID 146526753
N-[(1E,4Z)-1-amino-2-methylhexa-1,4-dien-3-ylidene]methanimidamide
CID 90452898
(Z)-5-[(E)-prop-1-enyl]dec-5-ene
CID 102402964
methyl N-methanimidoylpropanimidate
CID 167023162
ethane;N-[(Z,3Z)-3-ethylidenehept-1-enyl]ethanimidoyl chloride
CID 143343534
(E,4E)-4-ethylidenedodec-2-ene
CID 144930771
(E)-non-2-en-5-one
CID 15142787
N'-methanimidoylhept-6-enimidamide
CID 123424126
1-carbamimidoyl-1-[(E)-1-oxoheptan-2-ylideneamino]guanidine
CID 91623146
(2Z,4Z)-4-methyl-6-methylidenedeca-2,4-diene
CID 142960534

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-oct-2-en-4-ylidene]methanimidamide?
The IUPAC name of N-[(Z)-oct-2-en-4-ylidene]methanimidamide (CID 118327149) is N-[(Z)-oct-2-en-4-ylidene]methanimidamide.
What is the SMILES notation for N-[(Z)-oct-2-en-4-ylidene]methanimidamide?
The canonical SMILES for N-[(Z)-oct-2-en-4-ylidene]methanimidamide is [H]/N=C/N=C(/C=C\C)CCCC.
What is the InChIKey of N-[(Z)-oct-2-en-4-ylidene]methanimidamide?
The InChIKey is MKMCQXLGVLHMSO-YMPGYVEFSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-5-7-9(6-4-2)11-8-10/h4,6,8,10H,3,5,7H2,1-2H3/b6-4-,10-8+,11-9-.
What are the key properties of N-[(Z)-oct-2-en-4-ylidene]methanimidamide?
N-[(Z)-oct-2-en-4-ylidene]methanimidamide has a molecular weight of 152.24 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-oct-2-en-4-ylidene]methanimidamide is sourced from PubChem (CID 118327149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).