N-prop-2-enylidene-N'-propylethanimidamide

C8H14N2 — CID 123246281

IUPACN-prop-2-enylidene-N'-propylethanimidamide
SMILESC=C/C=N/C(C)=N/CCC
InChIInChI=1S/C8H14N2/c1-4-6-9-8(3)10-7-5-2/h4,6H,1,5,7H2,2-3H3/b9-6+,10-8+
InChIKeyZYJDBTFPZRSFLD-OAMUUVBCSA-N
MW138.21 g/mol
LogP2.07
Rot. Bonds3

About N-prop-2-enylidene-N'-propylethanimidamide

N-prop-2-enylidene-N'-propylethanimidamide (PubChem CID 123246281) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-prop-2-enylidene-N'-propylethanimidamide.

Molecular Properties

Compound NameN-prop-2-enylidene-N'-propylethanimidamide
PubChem CID123246281
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-prop-2-enylidene-N'-propylethanimidamide
SMILESC=C/C=N/C(C)=N/CCC
InChIInChI=1S/C8H14N2/c1-4-6-9-8(3)10-7-5-2/h4,6H,1,5,7H2,2-3H3/b9-6+,10-8+
InChIKeyZYJDBTFPZRSFLD-OAMUUVBCSA-N
XLogP2.07
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.07
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-2-pyrrolimin
CID 123476235
N-(2-fluoroprop-2-enylidene)-N'-methylprop-2-enimidamide
CID 146416961
2-Propenimidamide, N-2-propenylidene-N'-2-propenyl-
CID 564453
N-ethylidene-N'-prop-2-enylmethanimidamide
CID 88952463
N'-ethyl-N-prop-2-enylidenemethanimidamide
CID 89196565
N'-methyl-N-prop-2-enylideneethanimidamide
CID 89331290
N'-propan-2-yl-N-prop-2-enylidenemethanimidamide
CID 89423961
Metformin Impurity 61
CID 89899673
N-butan-2-ylpyrrol-2-imine
CID 91128749
N-prop-2-enylideneethanimidamide
CID 91263014
N-[(Z)-but-2-enylidene]-N'-methylmethanimidamide
CID 117620451
(Z)-3-(4H-imidazol-2-yl)-N-methylprop-2-en-1-imine
CID 118970756

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylidene-N'-propylethanimidamide?
The IUPAC name of N-prop-2-enylidene-N'-propylethanimidamide (CID 123246281) is N-prop-2-enylidene-N'-propylethanimidamide.
What is the SMILES notation for N-prop-2-enylidene-N'-propylethanimidamide?
The canonical SMILES for N-prop-2-enylidene-N'-propylethanimidamide is C=C/C=N/C(C)=N/CCC.
What is the InChIKey of N-prop-2-enylidene-N'-propylethanimidamide?
The InChIKey is ZYJDBTFPZRSFLD-OAMUUVBCSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-6-9-8(3)10-7-5-2/h4,6H,1,5,7H2,2-3H3/b9-6+,10-8+.
What are the key properties of N-prop-2-enylidene-N'-propylethanimidamide?
N-prop-2-enylidene-N'-propylethanimidamide has a molecular weight of 138.21 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylidene-N'-propylethanimidamide is sourced from PubChem (CID 123246281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).