N,N'-dimethyl-N-[(1E,4Z)-3-methylidenehexa-1,4-dienyl]methanimidamide

C10H16N2 — CID 145180329

IUPACN,N'-dimethyl-N-[(1E,4Z)-3-methylidenehexa-1,4-dienyl]methanimidamide
SMILESC=C(/C=C\C)/C=C/N(C)/C=N/C
InChIInChI=1S/C10H16N2/c1-5-6-10(2)7-8-12(4)9-11-3/h5-9H,2H2,1,3-4H3/b6-5-,8-7+,11-9+
InChIKeyIYMWNHRVXYTKKF-GGBISBKUSA-N
MW164.25 g/mol
LogP2.22
Rot. Bonds4

About N,N'-dimethyl-N-[(1E,4Z)-3-methylidenehexa-1,4-dienyl]methanimidamide

N,N'-dimethyl-N-[(1E,4Z)-3-methylidenehexa-1,4-dienyl]methanimidamide (PubChem CID 145180329) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N,N'-dimethyl-N-[(1E,4Z)-3-methylidenehexa-1,4-dienyl]methanimidamide.

Molecular Properties

Compound NameN,N'-dimethyl-N-[(1E,4Z)-3-methylidenehexa-1,4-dienyl]methanimidamide
PubChem CID145180329
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN,N'-dimethyl-N-[(1E,4Z)-3-methylidenehexa-1,4-dienyl]methanimidamide
SMILESC=C(/C=C\C)/C=C/N(C)/C=N/C
InChIInChI=1S/C10H16N2/c1-5-6-10(2)7-8-12(4)9-11-3/h5-9H,2H2,1,3-4H3/b6-5-,8-7+,11-9+
InChIKeyIYMWNHRVXYTKKF-GGBISBKUSA-N
XLogP2.22
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.22
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

N'-(1,5-dimethyl-2H-pyridin-3-yl)-N,N-dimethylmethanimidamide
CID 57257147
azane;5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine
CID 67633893
(2E)-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-[(E)-prop-1-enyl]penta-2,4-dien-1-amine
CID 88586056
N'-[(1E,4Z,7E)-6-methylidene-7-[(Z)-prop-1-enyl]deca-1,4,7-trienyl]methanimidamide
CID 118616847
N-butan-2-yl-N'-methyl-N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]methanimidamide
CID 134173837
N-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-N-methylmethanimidamide
CID 139453805
ethane;N-ethenyl-N-[(2E)-2-ethenylpenta-2,4-dienyl]-N'-ethylmethanimidamide
CID 141875502
(Z)-N,N-dimethyl-3-[(Z)-2-(methylideneamino)ethenyl]pent-3-en-1-amine
CID 141951181
N-methyl-N-[(1E,4Z,6Z)-nona-1,4,6,8-tetraenyl]methanimidamide
CID 142976657
ethane;1-ethenyl-N,5-dimethylpyridin-2-imine
CID 143611239
N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethenyl-N'-methylmethanimidamide
CID 143839387
(2Z,4Z)-N,N,4-trimethyl-5-(methylideneamino)penta-2,4-dien-1-amine
CID 143887769

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N-[(1E,4Z)-3-methylidenehexa-1,4-dienyl]methanimidamide?
The IUPAC name of N,N'-dimethyl-N-[(1E,4Z)-3-methylidenehexa-1,4-dienyl]methanimidamide (CID 145180329) is N,N'-dimethyl-N-[(1E,4Z)-3-methylidenehexa-1,4-dienyl]methanimidamide.
What is the SMILES notation for N,N'-dimethyl-N-[(1E,4Z)-3-methylidenehexa-1,4-dienyl]methanimidamide?
The canonical SMILES for N,N'-dimethyl-N-[(1E,4Z)-3-methylidenehexa-1,4-dienyl]methanimidamide is C=C(/C=C\C)/C=C/N(C)/C=N/C.
What is the InChIKey of N,N'-dimethyl-N-[(1E,4Z)-3-methylidenehexa-1,4-dienyl]methanimidamide?
The InChIKey is IYMWNHRVXYTKKF-GGBISBKUSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-6-10(2)7-8-12(4)9-11-3/h5-9H,2H2,1,3-4H3/b6-5-,8-7+,11-9+.
What are the key properties of N,N'-dimethyl-N-[(1E,4Z)-3-methylidenehexa-1,4-dienyl]methanimidamide?
N,N'-dimethyl-N-[(1E,4Z)-3-methylidenehexa-1,4-dienyl]methanimidamide has a molecular weight of 164.25 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N-[(1E,4Z)-3-methylidenehexa-1,4-dienyl]methanimidamide is sourced from PubChem (CID 145180329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).