N'-methyl-N-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]methanimidamide

C9H16N2 — CID 144628429

IUPACN'-methyl-N-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]methanimidamide
SMILESC/C=C\C(C)=C(/C)N/C=N/C
InChIInChI=1S/C9H16N2/c1-5-6-8(2)9(3)11-7-10-4/h5-7H,1-4H3,(H,10,11)/b6-5-,9-8+
InChIKeyKDSKNTJGFUARIM-UEPDSTOUSA-N
MW152.24 g/mol
LogP2.10
Rot. Bonds3

About N'-methyl-N-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]methanimidamide

N'-methyl-N-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]methanimidamide (PubChem CID 144628429) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N'-methyl-N-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]methanimidamide
PubChem CID144628429
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN'-methyl-N-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]methanimidamide
SMILESC/C=C\C(C)=C(/C)N/C=N/C
InChIInChI=1S/C9H16N2/c1-5-6-8(2)9(3)11-7-10-4/h5-7H,1-4H3,(H,10,11)/b6-5-,9-8+
InChIKeyKDSKNTJGFUARIM-UEPDSTOUSA-N
XLogP2.10
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.10
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-[(3Z,5Z)-2-fluoro-6,8-dimethylnona-1,3,5-trien-5-yl]-N'-methylmethanimidamide
CID 166838186
N'-[(2E,4Z)-3-ethenylhepta-2,4-dien-2-yl]methanimidamide
CID 88262945
5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine
CID 89336052
N-[(2Z,4Z)-1-amino-2-methylhexa-2,4-dien-3-yl]-N'-methylmethanimidamide
CID 90454013
N'-ethenyl-N-(3-methylpent-2-en-2-yl)methanimidamide
CID 123221162
N'-(1-amino-2-methylprop-2-enyl)-N-[(3Z)-penta-1,3-dien-2-yl]methanimidamide
CID 123298095
5-[(1E,3E)-2,3-dimethylhexa-1,3,5-trienyl]-6-methyl-1,4-dihydropyrimidin-4-amine
CID 123303165
4,4-dimethyl-7-methylidene-1H-1,3-diazepine
CID 123387213
N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N'-methylmethanimidamide
CID 123434689
N'-methyl-N-(3-methylidenehexa-1,4-dien-2-yl)methanimidamide
CID 123441819
N-[(E)-hex-3-en-3-yl]-N'-(2-methylidenebutyl)methanimidamide
CID 123443972
N-but-2-en-2-yl-N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide
CID 123513176

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]methanimidamide?
The IUPAC name of N'-methyl-N-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]methanimidamide (CID 144628429) is N'-methyl-N-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]methanimidamide.
What is the SMILES notation for N'-methyl-N-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]methanimidamide?
The canonical SMILES for N'-methyl-N-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]methanimidamide is C/C=C\C(C)=C(/C)N/C=N/C.
What is the InChIKey of N'-methyl-N-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]methanimidamide?
The InChIKey is KDSKNTJGFUARIM-UEPDSTOUSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-6-8(2)9(3)11-7-10-4/h5-7H,1-4H3,(H,10,11)/b6-5-,9-8+.
What are the key properties of N'-methyl-N-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]methanimidamide?
N'-methyl-N-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]methanimidamide has a molecular weight of 152.24 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]methanimidamide is sourced from PubChem (CID 144628429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).