N,N'-bis(prop-2-enyl)methanimidamide;ethane

C9H18N2 — CID 143786637

IUPACN,N'-bis(prop-2-enyl)methanimidamide;ethane
SMILESC=CC/N=C/NCC=C.CC
InChIInChI=1S/C7H12N2.C2H6/c1-3-5-8-7-9-6-4-2;1-2/h3-4,7H,1-2,5-6H2,(H,8,9);1-2H3
InChIKeyNOOVQLZNUAQEEU-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.00
Rot. Bonds5

About N,N'-bis(prop-2-enyl)methanimidamide;ethane

N,N'-bis(prop-2-enyl)methanimidamide;ethane (PubChem CID 143786637) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N,N'-bis(prop-2-enyl)methanimidamide;ethane.

Molecular Properties

Compound NameN,N'-bis(prop-2-enyl)methanimidamide;ethane
PubChem CID143786637
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN,N'-bis(prop-2-enyl)methanimidamide;ethane
SMILESC=CC/N=C/NCC=C.CC
InChIInChI=1S/C7H12N2.C2H6/c1-3-5-8-7-9-6-4-2;1-2/h3-4,7H,1-2,5-6H2,(H,8,9);1-2H3
InChIKeyNOOVQLZNUAQEEU-UHFFFAOYSA-N
XLogP2.00
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Allyl-3-(4-aminobutyl)guanidine
CID 135469301
Diallylguanidine
CID 15368370
N,N'-bis(prop-2-enyl)ethanimidamide
CID 11629618
2-Methyl-1-prop-2-enylguanidine
CID 18952267
1-(Diaminomethylidene)-2-methyl-3-prop-2-enylguanidine
CID 21534138
1,2-Dimethyl-3-prop-2-enylguanidine
CID 55218998
N,N'-bis(prop-2-enyl)methanimidamide
CID 55287141
1,3-Di(propan-2-yl)-2-prop-2-enylguanidine
CID 59816768
4,5-dihydro-1H-imidazole;prop-2-en-1-amine
CID 70140878
1,2,3-Tris(prop-2-enyl)guanidine
CID 88197214
N-[3-(ethylamino)propyl]-N'-methyl-N-prop-2-enylmethanimidamide
CID 90248355
N'-methyl-N-[(2Z)-penta-2,4-dienyl]methanimidamide
CID 90250577

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(prop-2-enyl)methanimidamide;ethane?
The IUPAC name of N,N'-bis(prop-2-enyl)methanimidamide;ethane (CID 143786637) is N,N'-bis(prop-2-enyl)methanimidamide;ethane.
What is the SMILES notation for N,N'-bis(prop-2-enyl)methanimidamide;ethane?
The canonical SMILES for N,N'-bis(prop-2-enyl)methanimidamide;ethane is C=CC/N=C/NCC=C.CC.
What is the InChIKey of N,N'-bis(prop-2-enyl)methanimidamide;ethane?
The InChIKey is NOOVQLZNUAQEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-3-5-8-7-9-6-4-2;1-2/h3-4,7H,1-2,5-6H2,(H,8,9);1-2H3.
What are the key properties of N,N'-bis(prop-2-enyl)methanimidamide;ethane?
N,N'-bis(prop-2-enyl)methanimidamide;ethane has a molecular weight of 154.26 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(prop-2-enyl)methanimidamide;ethane is sourced from PubChem (CID 143786637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).