ethane;1-methylidene-2-prop-1-en-2-ylguanidine

C7H15N3 — CID 143179181

IUPACethane;1-methylidene-2-prop-1-en-2-ylguanidine
SMILESC=N/C(N)=N\C(=C)C.CC
InChIInChI=1S/C5H9N3.C2H6/c1-4(2)8-5(6)7-3;1-2/h1,3H2,2H3,(H2,6,8);1-2H3
InChIKeyGCKLRVZQVMRNMW-UHFFFAOYSA-N
MW141.22 g/mol
LogP1.56
Rot. Bonds1

About ethane;1-methylidene-2-prop-1-en-2-ylguanidine

ethane;1-methylidene-2-prop-1-en-2-ylguanidine (PubChem CID 143179181) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is ethane;1-methylidene-2-prop-1-en-2-ylguanidine.

Molecular Properties

Compound Nameethane;1-methylidene-2-prop-1-en-2-ylguanidine
PubChem CID143179181
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Nameethane;1-methylidene-2-prop-1-en-2-ylguanidine
SMILESC=N/C(N)=N\C(=C)C.CC
InChIInChI=1S/C5H9N3.C2H6/c1-4(2)8-5(6)7-3;1-2/h1,3H2,2H3,(H2,6,8);1-2H3
InChIKeyGCKLRVZQVMRNMW-UHFFFAOYSA-N
XLogP1.56
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 51.56
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

N,N-dimethyl-N'-prop-1-en-2-ylmethanimidamide
CID 12222069
N'-prop-1-en-2-ylmethanimidamide
CID 15791485
N'-prop-1-en-2-ylmethanediimine
CID 53630501
N'-(cyclopropen-1-yl)methanimidamide
CID 68267135
N'-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidamide
CID 88893590
N'-[(Z)-1-(dimethylamino)prop-1-en-2-yl]methanimidamide
CID 88995086
N'-[(Z)-1-iodoprop-1-en-2-yl]methanimidamide
CID 89085144
N'-[(Z)-1-aminoprop-1-en-2-yl]-N-methylidenemethanimidamide
CID 89362422
N-propan-2-ylidene-N'-prop-1-en-2-ylmethanimidamide
CID 89953215
1-Propan-2-ylidene-2-prop-1-en-2-ylguanidine
CID 90064742
2-[(E)-but-2-en-2-yl]-1-methylideneguanidine
CID 91577824
N'-[(E)-but-2-en-2-yl]methanimidamide
CID 123223084

Frequently Asked Questions

What is the IUPAC name of ethane;1-methylidene-2-prop-1-en-2-ylguanidine?
The IUPAC name of ethane;1-methylidene-2-prop-1-en-2-ylguanidine (CID 143179181) is ethane;1-methylidene-2-prop-1-en-2-ylguanidine.
What is the SMILES notation for ethane;1-methylidene-2-prop-1-en-2-ylguanidine?
The canonical SMILES for ethane;1-methylidene-2-prop-1-en-2-ylguanidine is C=N/C(N)=N\C(=C)C.CC.
What is the InChIKey of ethane;1-methylidene-2-prop-1-en-2-ylguanidine?
The InChIKey is GCKLRVZQVMRNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.C2H6/c1-4(2)8-5(6)7-3;1-2/h1,3H2,2H3,(H2,6,8);1-2H3.
What are the key properties of ethane;1-methylidene-2-prop-1-en-2-ylguanidine?
ethane;1-methylidene-2-prop-1-en-2-ylguanidine has a molecular weight of 141.22 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylidene-2-prop-1-en-2-ylguanidine is sourced from PubChem (CID 143179181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).