ethane;N-methylidene-N'-prop-1-en-2-ylmethanimidamide

C7H14N2 — CID 143495855

IUPACethane;N-methylidene-N'-prop-1-en-2-ylmethanimidamide
SMILESC=N/C=N/C(=C)C.CC
InChIInChI=1S/C5H8N2.C2H6/c1-5(2)7-4-6-3;1-2/h4H,1,3H2,2H3;1-2H3/b7-4+;
InChIKeyUSHQTYSMYRHECF-KQGICBIGSA-N
MW126.20 g/mol
LogP2.28
Rot. Bonds2

About ethane;N-methylidene-N'-prop-1-en-2-ylmethanimidamide

ethane;N-methylidene-N'-prop-1-en-2-ylmethanimidamide (PubChem CID 143495855) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is ethane;N-methylidene-N'-prop-1-en-2-ylmethanimidamide.

Molecular Properties

Compound Nameethane;N-methylidene-N'-prop-1-en-2-ylmethanimidamide
PubChem CID143495855
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Nameethane;N-methylidene-N'-prop-1-en-2-ylmethanimidamide
SMILESC=N/C=N/C(=C)C.CC
InChIInChI=1S/C5H8N2.C2H6/c1-5(2)7-4-6-3;1-2/h4H,1,3H2,2H3;1-2H3/b7-4+;
InChIKeyUSHQTYSMYRHECF-KQGICBIGSA-N
XLogP2.28
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.28
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,N-dimethyl-N'-prop-1-en-2-ylmethanimidamide
CID 12222069
N'-prop-1-en-2-ylmethanimidamide
CID 15791485
N,N'-bis(prop-1-en-2-yl)methanediimine
CID 53630483
N'-[(Z)-1-aminoprop-1-en-2-yl]-N-methylidenemethanimidamide
CID 89362422
N-propan-2-yl-N'-prop-1-en-2-ylmethanediimine
CID 89535432
N-propan-2-ylidene-N'-prop-1-en-2-ylmethanimidamide
CID 89953215
Ethane;4-methylideneimidazole
CID 90900875
2-[(E)-but-2-en-2-yl]-1-methylideneguanidine
CID 91577824
N'-[(E)-but-2-en-2-yl]methanimidamide
CID 123223084
1-Methylidene-2-prop-1-en-2-ylguanidine
CID 123445193
N'-[2-(dimethylamino)prop-1-enyl]-N-methylidenemethanimidamide
CID 123507929
N'-but-1-en-2-yl-N,N-dimethylmethanimidamide
CID 123563027

Frequently Asked Questions

What is the IUPAC name of ethane;N-methylidene-N'-prop-1-en-2-ylmethanimidamide?
The IUPAC name of ethane;N-methylidene-N'-prop-1-en-2-ylmethanimidamide (CID 143495855) is ethane;N-methylidene-N'-prop-1-en-2-ylmethanimidamide.
What is the SMILES notation for ethane;N-methylidene-N'-prop-1-en-2-ylmethanimidamide?
The canonical SMILES for ethane;N-methylidene-N'-prop-1-en-2-ylmethanimidamide is C=N/C=N/C(=C)C.CC.
What is the InChIKey of ethane;N-methylidene-N'-prop-1-en-2-ylmethanimidamide?
The InChIKey is USHQTYSMYRHECF-KQGICBIGSA-N. The full InChI is InChI=1S/C5H8N2.C2H6/c1-5(2)7-4-6-3;1-2/h4H,1,3H2,2H3;1-2H3/b7-4+;.
What are the key properties of ethane;N-methylidene-N'-prop-1-en-2-ylmethanimidamide?
ethane;N-methylidene-N'-prop-1-en-2-ylmethanimidamide has a molecular weight of 126.20 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylidene-N'-prop-1-en-2-ylmethanimidamide is sourced from PubChem (CID 143495855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).