(2Z)-3-ethyl-N,N'-dimethylpenta-2,4-dienimidamide;molecular hydrogen;hydrate

C9H20N2O — CID 143230987

IUPAC(2Z)-3-ethyl-N,N'-dimethylpenta-2,4-dienimidamide;molecular hydrogen;hydrate
SMILESC=C/C(=C\C(=N\C)NC)CC.O.[H][H]
InChIInChI=1S/C9H16N2.H2O.H2/c1-5-8(6-2)7-9(10-3)11-4;;/h5,7H,1,6H2,2-4H3,(H,10,11);1H2;1H/b8-7+;;
InChIKeyMZZFVYBKZHXXND-MIIBGCIDSA-N
MW172.27 g/mol
LogP1.18
Rot. Bonds3

About (2Z)-3-ethyl-N,N'-dimethylpenta-2,4-dienimidamide;molecular hydrogen;hydrate

(2Z)-3-ethyl-N,N'-dimethylpenta-2,4-dienimidamide;molecular hydrogen;hydrate (PubChem CID 143230987) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (2Z)-3-ethyl-N,N'-dimethylpenta-2,4-dienimidamide;molecular hydrogen;hydrate.

Molecular Properties

Compound Name(2Z)-3-ethyl-N,N'-dimethylpenta-2,4-dienimidamide;molecular hydrogen;hydrate
PubChem CID143230987
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(2Z)-3-ethyl-N,N'-dimethylpenta-2,4-dienimidamide;molecular hydrogen;hydrate
SMILESC=C/C(=C\C(=N\C)NC)CC.O.[H][H]
InChIInChI=1S/C9H16N2.H2O.H2/c1-5-8(6-2)7-9(10-3)11-4;;/h5,7H,1,6H2,2-4H3,(H,10,11);1H2;1H/b8-7+;;
InChIKeyMZZFVYBKZHXXND-MIIBGCIDSA-N
XLogP1.18
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.18
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

(2E,3Z)-2-ethylidene-N,N',5-trimethylhexa-3,5-dienimidamide
CID 123185969
(E)-2-ethenyl-N,N',4,4-tetramethylpent-2-enimidamide
CID 141970738
(Z)-N,N',3-trimethylpent-2-enimidamide
CID 142051323
(2Z)-N',4-dimethyl-N-propylpenta-2,4-dienimidamide
CID 143692357
(2Z)-N,N',4-trimethylpenta-2,4-dienimidamide
CID 143743862
(E)-N,N',3,4-tetramethylpent-2-enimidamide
CID 166106802
ethene;(2Z)-3-ethenyl-N,N',4-trimethylpenta-2,4-dienimidamide
CID 171555081
(Z)-N,N',3-trimethylhex-2-enimidamide
CID 143155858
(2Z)-3-ethyl-N,N'-dimethylpenta-2,4-dienimidamide
CID 143230988
(2Z)-3-ethenyl-N,N',4-trimethylpenta-2,4-dienimidamide
CID 171555082
N-[(1Z,3E)-3-ethylhepta-1,3-dienyl]-N'-methylethanimidamide
CID 177357027

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-ethyl-N,N'-dimethylpenta-2,4-dienimidamide;molecular hydrogen;hydrate?
The IUPAC name of (2Z)-3-ethyl-N,N'-dimethylpenta-2,4-dienimidamide;molecular hydrogen;hydrate (CID 143230987) is (2Z)-3-ethyl-N,N'-dimethylpenta-2,4-dienimidamide;molecular hydrogen;hydrate.
What is the SMILES notation for (2Z)-3-ethyl-N,N'-dimethylpenta-2,4-dienimidamide;molecular hydrogen;hydrate?
The canonical SMILES for (2Z)-3-ethyl-N,N'-dimethylpenta-2,4-dienimidamide;molecular hydrogen;hydrate is C=C/C(=C\C(=N\C)NC)CC.O.[H][H].
What is the InChIKey of (2Z)-3-ethyl-N,N'-dimethylpenta-2,4-dienimidamide;molecular hydrogen;hydrate?
The InChIKey is MZZFVYBKZHXXND-MIIBGCIDSA-N. The full InChI is InChI=1S/C9H16N2.H2O.H2/c1-5-8(6-2)7-9(10-3)11-4;;/h5,7H,1,6H2,2-4H3,(H,10,11);1H2;1H/b8-7+;;.
What are the key properties of (2Z)-3-ethyl-N,N'-dimethylpenta-2,4-dienimidamide;molecular hydrogen;hydrate?
(2Z)-3-ethyl-N,N'-dimethylpenta-2,4-dienimidamide;molecular hydrogen;hydrate has a molecular weight of 172.27 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-ethyl-N,N'-dimethylpenta-2,4-dienimidamide;molecular hydrogen;hydrate is sourced from PubChem (CID 143230987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).