N-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide

C10H16N2 — CID 143256855

IUPACN-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide
SMILESC=C(C)/C=C(/C)C(=C)N/C=N/C
InChIInChI=1S/C10H16N2/c1-8(2)6-9(3)10(4)12-7-11-5/h6-7H,1,4H2,2-3,5H3,(H,11,12)/b9-6-
InChIKeyKZYOTKNFCAUWBH-TWGQIWQCSA-N
MW164.25 g/mol
LogP2.27
Rot. Bonds4

About N-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide

N-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide (PubChem CID 143256855) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide
PubChem CID143256855
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide
SMILESC=C(C)/C=C(/C)C(=C)N/C=N/C
InChIInChI=1S/C10H16N2/c1-8(2)6-9(3)10(4)12-7-11-5/h6-7H,1,4H2,2-3,5H3,(H,11,12)/b9-6-
InChIKeyKZYOTKNFCAUWBH-TWGQIWQCSA-N
XLogP2.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.27
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)methanimidamide
CID 143760163
N-(1-aminoethenyl)-N'-methylmethanimidamide
CID 144748232
2,4-dimethylpenta-1,3-diene;rhodium
CID 175138892
(3Z)-2-chloro-3,5-dimethylhexa-1,3,5-triene
CID 142150750
(2Z,4Z)-3,4,6-trimethylhepta-2,4,6-trien-2-amine
CID 126639396
(2Z)-N,3,4-trimethylpenta-2,4-dien-1-imine
CID 143116223
N-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide
CID 143349854
ethane;N-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide
CID 143349853
[(3E)-2,5-dimethylhexa-1,3,5-trien-3-yl]thallium
CID 142529132
2,4-dimethylpenta-1,3-diene;ethane
CID 144511028
N-[(E)-2-amino-1-chloroethenyl]-N'-methylmethanimidamide
CID 163978449
(1Z)-N,3-dimethyl-1-(methylideneamino)buta-1,3-dien-1-amine
CID 143723048

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide?
The IUPAC name of N-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide (CID 143256855) is N-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide.
What is the SMILES notation for N-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide?
The canonical SMILES for N-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide is C=C(C)/C=C(/C)C(=C)N/C=N/C.
What is the InChIKey of N-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide?
The InChIKey is KZYOTKNFCAUWBH-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H16N2/c1-8(2)6-9(3)10(4)12-7-11-5/h6-7H,1,4H2,2-3,5H3,(H,11,12)/b9-6-.
What are the key properties of N-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide?
N-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide has a molecular weight of 164.25 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide is sourced from PubChem (CID 143256855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).