N-ethylidene-N'-[(Z)-prop-1-enyl]ethanimidamide

C7H12N2 — CID 129258594

IUPACN-ethylidene-N'-[(Z)-prop-1-enyl]ethanimidamide
SMILESC/C=C\N=C(C)\N=C\C
InChIInChI=1S/C7H12N2/c1-4-6-9-7(3)8-5-2/h4-6H,1-3H3/b6-4-,8-5+,9-7+
InChIKeyZIKBHYHUHHBWTQ-QZQTZDQJSA-N
MW124.19 g/mol
LogP2.03
Rot. Bonds1

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

N-ethylidene-N'-[(Z)-prop-1-enyl]ethanimidamide (PubChem CID 129258594) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-ethylidene-N'-[(Z)-prop-1-enyl]ethanimidamide.

Molecular Properties

Compound NameN-ethylidene-N'-[(Z)-prop-1-enyl]ethanimidamide
PubChem CID129258594
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-ethylidene-N'-[(Z)-prop-1-enyl]ethanimidamide
SMILESC/C=C\N=C(C)\N=C\C
InChIInChI=1S/C7H12N2/c1-4-6-9-7(3)8-5-2/h4-6H,1-3H3/b6-4-,8-5+,9-7+
InChIKeyZIKBHYHUHHBWTQ-QZQTZDQJSA-N
XLogP2.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 52.03
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'}

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Related Compounds

N-methyl-N'-methylideneprop-2-ene-1,3-diimine
CID 91606293
N'-(2-fluoroprop-1-enyl)-N-methylidene-2-methyliminoethanimidamide
CID 90761546
1,3,5-Triazocine
CID 135084024
N-[(E)-prop-1-enyl]ethanimine
CID 13099165
N-prop-1-enylethanimine
CID 53993191
propane;2H-pyrimidin-2-ide;tungsten(2+)
CID 57762484
propane;2H-pyrimidin-2-ide;yttrium
CID 58547320
carbanide;2H-pyrimidin-2-ide;yttrium
CID 58939196
N-[(Z)-prop-1-enyl]ethanimine
CID 59954783
N'-ethenyl-N-prop-2-enylidenemethanimidamide
CID 88408958
N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide
CID 88586058
N-ethylidene-N'-[(Z)-prop-1-enyl]methanimidamide
CID 88925224

Frequently Asked Questions

What is the IUPAC name of N-ethylidene-N'-[(Z)-prop-1-enyl]ethanimidamide?
The IUPAC name of N-ethylidene-N'-[(Z)-prop-1-enyl]ethanimidamide (CID 129258594) is N-ethylidene-N'-[(Z)-prop-1-enyl]ethanimidamide.
What is the SMILES notation for N-ethylidene-N'-[(Z)-prop-1-enyl]ethanimidamide?
The canonical SMILES for N-ethylidene-N'-[(Z)-prop-1-enyl]ethanimidamide is C/C=C\N=C(C)\N=C\C.
What is the InChIKey of N-ethylidene-N'-[(Z)-prop-1-enyl]ethanimidamide?
The InChIKey is ZIKBHYHUHHBWTQ-QZQTZDQJSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-6-9-7(3)8-5-2/h4-6H,1-3H3/b6-4-,8-5+,9-7+.
What are the key properties of N-ethylidene-N'-[(Z)-prop-1-enyl]ethanimidamide?
N-ethylidene-N'-[(Z)-prop-1-enyl]ethanimidamide has a molecular weight of 124.19 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylidene-N'-[(Z)-prop-1-enyl]ethanimidamide is sourced from PubChem (CID 129258594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).