N-ethyl-N-[(Z)-prop-1-enyl]ethanimidamide

C7H14N2 — CID 154474112

IUPACN-ethyl-N-[(Z)-prop-1-enyl]ethanimidamide
SMILES[H]/N=C(\C)N(/C=C\C)CC
InChIInChI=1S/C7H14N2/c1-4-6-9(5-2)7(3)8/h4,6,8H,5H2,1-3H3/b6-4-,8-7+
InChIKeyZRCAUNZTJHAAHY-IQTBQJLQSA-N
MW126.20 g/mol
LogP1.84
Rot. Bonds2

About N-ethyl-N-[(Z)-prop-1-enyl]ethanimidamide

N-ethyl-N-[(Z)-prop-1-enyl]ethanimidamide (PubChem CID 154474112) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N-ethyl-N-[(Z)-prop-1-enyl]ethanimidamide.

Molecular Properties

Compound NameN-ethyl-N-[(Z)-prop-1-enyl]ethanimidamide
PubChem CID154474112
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN-ethyl-N-[(Z)-prop-1-enyl]ethanimidamide
SMILES[H]/N=C(\C)N(/C=C\C)CC
InChIInChI=1S/C7H14N2/c1-4-6-9(5-2)7(3)8/h4,6,8H,5H2,1-3H3/b6-4-,8-7+
InChIKeyZRCAUNZTJHAAHY-IQTBQJLQSA-N
XLogP1.84
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.84
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'}

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Related Compounds

1-Ethylpyridin-2(1H)-imine
CID 12924176
2,3-Dimethylpyrimidin-4-imine
CID 13925309
N,N-bis(prop-2-enyl)ethanimidamide
CID 57044771
N-methyl-N-prop-2-enylethanimidamide
CID 59020721
N-ethyl-N-prop-2-enylethanimidamide
CID 60085606
1-[(Z)-prop-1-enyl]pyrazin-2-imine
CID 88581658
N-[(Z)-but-2-en-2-yl]-N-methylethanimidamide
CID 89579055
N-methyl-N-[(Z)-prop-1-enyl]ethanimidamide
CID 89893482
N-[(Z)-prop-1-enyl]-N-propylmethanimidamide
CID 117805299
N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide
CID 118674850
N-methanimidoyl-N-[(E)-prop-1-enyl]methanimidamide
CID 122536879
1-Ethanimidoylpyridin-2-imine
CID 123241756

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(Z)-prop-1-enyl]ethanimidamide?
The IUPAC name of N-ethyl-N-[(Z)-prop-1-enyl]ethanimidamide (CID 154474112) is N-ethyl-N-[(Z)-prop-1-enyl]ethanimidamide.
What is the SMILES notation for N-ethyl-N-[(Z)-prop-1-enyl]ethanimidamide?
The canonical SMILES for N-ethyl-N-[(Z)-prop-1-enyl]ethanimidamide is [H]/N=C(\C)N(/C=C\C)CC.
What is the InChIKey of N-ethyl-N-[(Z)-prop-1-enyl]ethanimidamide?
The InChIKey is ZRCAUNZTJHAAHY-IQTBQJLQSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-6-9(5-2)7(3)8/h4,6,8H,5H2,1-3H3/b6-4-,8-7+.
What are the key properties of N-ethyl-N-[(Z)-prop-1-enyl]ethanimidamide?
N-ethyl-N-[(Z)-prop-1-enyl]ethanimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(Z)-prop-1-enyl]ethanimidamide is sourced from PubChem (CID 154474112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).