N-butyl-N-ethenylmethanimidamide;ethane

C9H20N2 — CID 142939618

IUPACN-butyl-N-ethenylmethanimidamide;ethane
SMILESCC.[H]/N=C/N(C=C)CCCC
InChIInChI=1S/C7H14N2.C2H6/c1-3-5-6-9(4-2)7-8;1-2/h4,7-8H,2-3,5-6H2,1H3;1-2H3/b8-7+;
InChIKeyFSVLVNPDIFRJMU-USRGLUTNSA-N
MW156.27 g/mol
LogP2.87
Rot. Bonds5

About N-butyl-N-ethenylmethanimidamide;ethane

N-butyl-N-ethenylmethanimidamide;ethane (PubChem CID 142939618) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N-butyl-N-ethenylmethanimidamide;ethane.

Molecular Properties

Compound NameN-butyl-N-ethenylmethanimidamide;ethane
PubChem CID142939618
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN-butyl-N-ethenylmethanimidamide;ethane
SMILESCC.[H]/N=C/N(C=C)CCCC
InChIInChI=1S/C7H14N2.C2H6/c1-3-5-6-9(4-2)7-8;1-2/h4,7-8H,2-3,5-6H2,1H3;1-2H3/b8-7+;
InChIKeyFSVLVNPDIFRJMU-USRGLUTNSA-N
XLogP2.87
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.87
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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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethenylmethanimidamide;ethane?
The IUPAC name of N-butyl-N-ethenylmethanimidamide;ethane (CID 142939618) is N-butyl-N-ethenylmethanimidamide;ethane.
What is the SMILES notation for N-butyl-N-ethenylmethanimidamide;ethane?
The canonical SMILES for N-butyl-N-ethenylmethanimidamide;ethane is CC.[H]/N=C/N(C=C)CCCC.
What is the InChIKey of N-butyl-N-ethenylmethanimidamide;ethane?
The InChIKey is FSVLVNPDIFRJMU-USRGLUTNSA-N. The full InChI is InChI=1S/C7H14N2.C2H6/c1-3-5-6-9(4-2)7-8;1-2/h4,7-8H,2-3,5-6H2,1H3;1-2H3/b8-7+;.
What are the key properties of N-butyl-N-ethenylmethanimidamide;ethane?
N-butyl-N-ethenylmethanimidamide;ethane has a molecular weight of 156.27 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethenylmethanimidamide;ethane is sourced from PubChem (CID 142939618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).