ethane;N-prop-1-en-2-yl-N'-(2-pyrrolidin-1-ylethyl)methanimidamide

C12H25N3 — CID 143653041

IUPACethane;N-prop-1-en-2-yl-N'-(2-pyrrolidin-1-ylethyl)methanimidamide
SMILESC=C(C)N/C=N/CCN1CCCC1.CC
InChIInChI=1S/C10H19N3.C2H6/c1-10(2)12-9-11-5-8-13-6-3-4-7-13;1-2/h9H,1,3-8H2,2H3,(H,11,12);1-2H3
InChIKeyLJRPIELHKUYKDB-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.26
Rot. Bonds5

About ethane;N-prop-1-en-2-yl-N'-(2-pyrrolidin-1-ylethyl)methanimidamide

ethane;N-prop-1-en-2-yl-N'-(2-pyrrolidin-1-ylethyl)methanimidamide (PubChem CID 143653041) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is ethane;N-prop-1-en-2-yl-N'-(2-pyrrolidin-1-ylethyl)methanimidamide.

Molecular Properties

Compound Nameethane;N-prop-1-en-2-yl-N'-(2-pyrrolidin-1-ylethyl)methanimidamide
PubChem CID143653041
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Nameethane;N-prop-1-en-2-yl-N'-(2-pyrrolidin-1-ylethyl)methanimidamide
SMILESC=C(C)N/C=N/CCN1CCCC1.CC
InChIInChI=1S/C10H19N3.C2H6/c1-10(2)12-9-11-5-8-13-6-3-4-7-13;1-2/h9H,1,3-8H2,2H3,(H,11,12);1-2H3
InChIKeyLJRPIELHKUYKDB-UHFFFAOYSA-N
XLogP2.26
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-methyl-N-(2-piperidin-1-ylethyl)but-3-en-1-amine
CID 114472178
1-ethyl-2-(2-piperidin-1-ylethyl)guanidine
CID 62363121
1-[2-(azepan-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111057045
N-[3-(azepan-1-yl)propyl]ethanimine
CID 91533828
1-[3-(azepan-1-yl)propyl]-2-(2-methylprop-2-enyl)guanidine
CID 111029596
1-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 11062806
1-[(3E)-3-methylhexa-3,5-dienyl]pyrrolidine
CID 144835688
ethane;1-(3-nitrosopropyl)pyrrolidine
CID 142532162
2-(2-methylprop-2-enyl)-1-(5-piperidin-1-ylpentyl)guanidine
CID 111809668
N-(2-pyrrolidin-1-ylethyl)but-3-en-2-amine
CID 107906914
1-ethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine
CID 62991555
1-[(Z)-2-(2-piperidin-1-ylethyl)but-2-enyl]piperazine
CID 70026882

Frequently Asked Questions

What is the IUPAC name of ethane;N-prop-1-en-2-yl-N'-(2-pyrrolidin-1-ylethyl)methanimidamide?
The IUPAC name of ethane;N-prop-1-en-2-yl-N'-(2-pyrrolidin-1-ylethyl)methanimidamide (CID 143653041) is ethane;N-prop-1-en-2-yl-N'-(2-pyrrolidin-1-ylethyl)methanimidamide.
What is the SMILES notation for ethane;N-prop-1-en-2-yl-N'-(2-pyrrolidin-1-ylethyl)methanimidamide?
The canonical SMILES for ethane;N-prop-1-en-2-yl-N'-(2-pyrrolidin-1-ylethyl)methanimidamide is C=C(C)N/C=N/CCN1CCCC1.CC.
What is the InChIKey of ethane;N-prop-1-en-2-yl-N'-(2-pyrrolidin-1-ylethyl)methanimidamide?
The InChIKey is LJRPIELHKUYKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3.C2H6/c1-10(2)12-9-11-5-8-13-6-3-4-7-13;1-2/h9H,1,3-8H2,2H3,(H,11,12);1-2H3.
What are the key properties of ethane;N-prop-1-en-2-yl-N'-(2-pyrrolidin-1-ylethyl)methanimidamide?
ethane;N-prop-1-en-2-yl-N'-(2-pyrrolidin-1-ylethyl)methanimidamide has a molecular weight of 211.35 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-prop-1-en-2-yl-N'-(2-pyrrolidin-1-ylethyl)methanimidamide is sourced from PubChem (CID 143653041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).