ethane;N-ethylidene-N'-prop-1-en-2-ylethanimidamide

C11H24N2 — CID 178102904

IUPACethane;N-ethylidene-N'-prop-1-en-2-ylethanimidamide
SMILESC=C(C)/N=C(C)/N=C/C.CC.CC
InChIInChI=1S/C7H12N2.2C2H6/c1-5-8-7(4)9-6(2)3;2*1-2/h5H,2H2,1,3-4H3;2*1-2H3/b8-5+,9-7+;;
InChIKeyGPJBSQHGKNHGPN-AZHJQLLRSA-N
MW184.33 g/mol
LogP4.08
Rot. Bonds1

About ethane;N-ethylidene-N'-prop-1-en-2-ylethanimidamide

ethane;N-ethylidene-N'-prop-1-en-2-ylethanimidamide (PubChem CID 178102904) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is ethane;N-ethylidene-N'-prop-1-en-2-ylethanimidamide.

Molecular Properties

Compound Nameethane;N-ethylidene-N'-prop-1-en-2-ylethanimidamide
PubChem CID178102904
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Nameethane;N-ethylidene-N'-prop-1-en-2-ylethanimidamide
SMILESC=C(C)/N=C(C)/N=C/C.CC.CC
InChIInChI=1S/C7H12N2.2C2H6/c1-5-8-7(4)9-6(2)3;2*1-2/h5H,2H2,1,3-4H3;2*1-2H3/b8-5+,9-7+;;
InChIKeyGPJBSQHGKNHGPN-AZHJQLLRSA-N
XLogP4.08
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 54.08
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

2-Methyl-4-methylideneimidazole
CID 91287057
N-ethylidene-N'-prop-1-en-2-ylmethanimidamide
CID 130351047
N-ethylidene-N'-prop-1-en-2-ylethanimidamide
CID 130376868
N'-but-1-en-2-yl-N-ethylidenemethanimidamide
CID 134316537
2-(ethylideneamino)-N-methylidene-N'-(methyliminomethyl)prop-2-enimidamide
CID 134484790
N'-[(Z)-but-2-en-2-yl]-N-ethylideneethanimidamide
CID 139455759
ethane;N-ethylidene-N'-[(Z)-prop-1-enyl]ethanimidamide
CID 141827139
2-amino-N-methylidene-N'-prop-1-en-2-ylethanimidamide;ethane
CID 142050733
2-(dimethylamino)-N-methylidene-N'-prop-1-en-2-ylethanimidamide
CID 142083163
N-ethylidene-N'-(3-methylbut-1-en-2-yl)methanimidamide
CID 142207625
ethane;N-propan-2-ylidene-N'-prop-1-en-2-ylethanimidamide
CID 143043535
N'-[(Z)-but-2-en-2-yl]-N-ethylideneethanimidamide;ethane
CID 143082462

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethylidene-N'-prop-1-en-2-ylethanimidamide?
The IUPAC name of ethane;N-ethylidene-N'-prop-1-en-2-ylethanimidamide (CID 178102904) is ethane;N-ethylidene-N'-prop-1-en-2-ylethanimidamide.
What is the SMILES notation for ethane;N-ethylidene-N'-prop-1-en-2-ylethanimidamide?
The canonical SMILES for ethane;N-ethylidene-N'-prop-1-en-2-ylethanimidamide is C=C(C)/N=C(C)/N=C/C.CC.CC.
What is the InChIKey of ethane;N-ethylidene-N'-prop-1-en-2-ylethanimidamide?
The InChIKey is GPJBSQHGKNHGPN-AZHJQLLRSA-N. The full InChI is InChI=1S/C7H12N2.2C2H6/c1-5-8-7(4)9-6(2)3;2*1-2/h5H,2H2,1,3-4H3;2*1-2H3/b8-5+,9-7+;;.
What are the key properties of ethane;N-ethylidene-N'-prop-1-en-2-ylethanimidamide?
ethane;N-ethylidene-N'-prop-1-en-2-ylethanimidamide has a molecular weight of 184.33 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethylidene-N'-prop-1-en-2-ylethanimidamide is sourced from PubChem (CID 178102904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).