ethane;(E)-2-ethenyl-N-ethyl-N',3,4-trimethylpent-2-enimidamide;molecular hydrogen

C14H30N2 — CID 170732032

IUPACethane;(E)-2-ethenyl-N-ethyl-N',3,4-trimethylpent-2-enimidamide;molecular hydrogen
SMILESC=CC(/C(=N/C)NCC)=C(/C)C(C)C.CC.[H][H]
InChIInChI=1S/C12H22N2.C2H6.H2/c1-7-11(10(5)9(3)4)12(13-6)14-8-2;1-2;/h7,9H,1,8H2,2-6H3,(H,13,14);1-2H3;1H/b11-10+;;
InChIKeyWORCPTYQLOUOGH-BGNBUWATSA-N
MW226.41 g/mol
LogP4.05
Rot. Bonds4

About ethane;(E)-2-ethenyl-N-ethyl-N',3,4-trimethylpent-2-enimidamide;molecular hydrogen

ethane;(E)-2-ethenyl-N-ethyl-N',3,4-trimethylpent-2-enimidamide;molecular hydrogen (PubChem CID 170732032) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is ethane;(E)-2-ethenyl-N-ethyl-N',3,4-trimethylpent-2-enimidamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;(E)-2-ethenyl-N-ethyl-N',3,4-trimethylpent-2-enimidamide;molecular hydrogen
PubChem CID170732032
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Nameethane;(E)-2-ethenyl-N-ethyl-N',3,4-trimethylpent-2-enimidamide;molecular hydrogen
SMILESC=CC(/C(=N/C)NCC)=C(/C)C(C)C.CC.[H][H]
InChIInChI=1S/C12H22N2.C2H6.H2/c1-7-11(10(5)9(3)4)12(13-6)14-8-2;1-2;/h7,9H,1,8H2,2-6H3,(H,13,14);1-2H3;1H/b11-10+;;
InChIKeyWORCPTYQLOUOGH-BGNBUWATSA-N
XLogP4.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 54.05
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

(E)-N-ethyl-N',2-dimethylbut-2-enimidamide
CID 118973189
N-ethyl-2-methylpropanamide;molecular hydrogen;prop-1-ene
CID 144853792
(2E)-2-ethenyl-N-ethyl-3-methylpenta-2,4-dienamide
CID 144618741
1,3-diethyl-2-methylguanidine
CID 58687650
(3E)-N-ethylpenta-1,3-dien-3-amine
CID 142013654
ethane;(4Z)-N-methylhepta-1,4-dien-3-imine
CID 144693446
CID 174103042
CID 174103042
1-[(E)-but-2-en-2-yl]-4-methylbenzene;ethane;(3Z)-3-ethenyl-2,4,5-trimethylhexa-1,3-diene;2-methylprop-1-ene
CID 143393762
2-(2-methylpropanoylamino)ethyl prop-2-enoate
CID 45120227
N-ethyl-2-[(N'-methylcarbamimidoyl)amino]propanamide
CID 62360115
N-ethylprop-2-enamide;N-methylmethanamine
CID 22381553
molecular hydrogen;N-[(Z)-prop-2-enylideneamino]ethanamine
CID 143460131

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-2-ethenyl-N-ethyl-N',3,4-trimethylpent-2-enimidamide;molecular hydrogen?
The IUPAC name of ethane;(E)-2-ethenyl-N-ethyl-N',3,4-trimethylpent-2-enimidamide;molecular hydrogen (CID 170732032) is ethane;(E)-2-ethenyl-N-ethyl-N',3,4-trimethylpent-2-enimidamide;molecular hydrogen.
What is the SMILES notation for ethane;(E)-2-ethenyl-N-ethyl-N',3,4-trimethylpent-2-enimidamide;molecular hydrogen?
The canonical SMILES for ethane;(E)-2-ethenyl-N-ethyl-N',3,4-trimethylpent-2-enimidamide;molecular hydrogen is C=CC(/C(=N/C)NCC)=C(/C)C(C)C.CC.[H][H].
What is the InChIKey of ethane;(E)-2-ethenyl-N-ethyl-N',3,4-trimethylpent-2-enimidamide;molecular hydrogen?
The InChIKey is WORCPTYQLOUOGH-BGNBUWATSA-N. The full InChI is InChI=1S/C12H22N2.C2H6.H2/c1-7-11(10(5)9(3)4)12(13-6)14-8-2;1-2;/h7,9H,1,8H2,2-6H3,(H,13,14);1-2H3;1H/b11-10+;;.
What are the key properties of ethane;(E)-2-ethenyl-N-ethyl-N',3,4-trimethylpent-2-enimidamide;molecular hydrogen?
ethane;(E)-2-ethenyl-N-ethyl-N',3,4-trimethylpent-2-enimidamide;molecular hydrogen has a molecular weight of 226.41 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-2-ethenyl-N-ethyl-N',3,4-trimethylpent-2-enimidamide;molecular hydrogen is sourced from PubChem (CID 170732032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).