ethane;(2Z)-N'-ethenyl-N,N,4-trimethylpenta-2,4-dienimidamide

C14H28N2 — CID 145330533

IUPACethane;(2Z)-N'-ethenyl-N,N,4-trimethylpenta-2,4-dienimidamide
SMILESC=C/N=C(/C=C\C(=C)C)N(C)C.CC.CC
InChIInChI=1S/C10H16N2.2C2H6/c1-6-11-10(12(4)5)8-7-9(2)3;2*1-2/h6-8H,1-2H2,3-5H3;2*1-2H3/b8-7-,11-10-;;
InChIKeyIAJGUAGYDDROPS-JQBIHOSXSA-N
MW224.39 g/mol
LogP4.27
Rot. Bonds3

About ethane;(2Z)-N'-ethenyl-N,N,4-trimethylpenta-2,4-dienimidamide

ethane;(2Z)-N'-ethenyl-N,N,4-trimethylpenta-2,4-dienimidamide (PubChem CID 145330533) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is ethane;(2Z)-N'-ethenyl-N,N,4-trimethylpenta-2,4-dienimidamide.

Molecular Properties

Compound Nameethane;(2Z)-N'-ethenyl-N,N,4-trimethylpenta-2,4-dienimidamide
PubChem CID145330533
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Nameethane;(2Z)-N'-ethenyl-N,N,4-trimethylpenta-2,4-dienimidamide
SMILESC=C/N=C(/C=C\C(=C)C)N(C)C.CC.CC
InChIInChI=1S/C10H16N2.2C2H6/c1-6-11-10(12(4)5)8-7-9(2)3;2*1-2/h6-8H,1-2H2,3-5H3;2*1-2H3/b8-7-,11-10-;;
InChIKeyIAJGUAGYDDROPS-JQBIHOSXSA-N
XLogP4.27
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.27
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'}

Analyze ethane;(2Z)-N'-ethenyl-N,N,4-trimethylpenta-2,4-dienimidamide with MolForge

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Related Compounds

N'-[3-[2-fluoroethyl(hexa-3,5-dien-3-yl)amino]-2-methylbuta-1,3-dienyl]-N,N-dimethylethanimidamide
CID 123669469
1-ethenyl-N-methyl-5-(trifluoromethyl)pyridin-2-imine
CID 146477817
1-ethenyl-N-methyl-4-(trifluoromethyl)pyridin-2-imine
CID 146507514
N,N-diethyl-4-methyl-3H-azepin-2-amine
CID 12218528
N,N-diethyl-6-methyl-3H-azepin-2-amine
CID 12218529
N,N-diethyl-5-methyl-3H-azepin-2-amine
CID 12218538
N,N-diethyl-3,5-dimethyl-3H-azepin-2-amine
CID 85790494
N,N,5-trimethyl-3H-azepin-2-amine
CID 166441901
7-butyl-4H-pyrido[1,2-a]pyrimidine
CID 20348005
N,1,4-trimethylpyridin-2-imine
CID 23387651
3H-pyrido[2,1-b]quinazoline
CID 57137694
6-ethyl-2H-imidazo[1,2-a]pyridin-4-ium
CID 57589463

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z)-N'-ethenyl-N,N,4-trimethylpenta-2,4-dienimidamide?
The IUPAC name of ethane;(2Z)-N'-ethenyl-N,N,4-trimethylpenta-2,4-dienimidamide (CID 145330533) is ethane;(2Z)-N'-ethenyl-N,N,4-trimethylpenta-2,4-dienimidamide.
What is the SMILES notation for ethane;(2Z)-N'-ethenyl-N,N,4-trimethylpenta-2,4-dienimidamide?
The canonical SMILES for ethane;(2Z)-N'-ethenyl-N,N,4-trimethylpenta-2,4-dienimidamide is C=C/N=C(/C=C\C(=C)C)N(C)C.CC.CC.
What is the InChIKey of ethane;(2Z)-N'-ethenyl-N,N,4-trimethylpenta-2,4-dienimidamide?
The InChIKey is IAJGUAGYDDROPS-JQBIHOSXSA-N. The full InChI is InChI=1S/C10H16N2.2C2H6/c1-6-11-10(12(4)5)8-7-9(2)3;2*1-2/h6-8H,1-2H2,3-5H3;2*1-2H3/b8-7-,11-10-;;.
What are the key properties of ethane;(2Z)-N'-ethenyl-N,N,4-trimethylpenta-2,4-dienimidamide?
ethane;(2Z)-N'-ethenyl-N,N,4-trimethylpenta-2,4-dienimidamide has a molecular weight of 224.39 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z)-N'-ethenyl-N,N,4-trimethylpenta-2,4-dienimidamide is sourced from PubChem (CID 145330533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).