ethane;N-ethenyl-N-methylethanamine

C7H17N — CID 176944347

IUPACethane;N-ethenyl-N-methylethanamine
SMILESC=CN(C)CC.CC
InChIInChI=1S/C5H11N.C2H6/c1-4-6(3)5-2;1-2/h4H,1,5H2,2-3H3;1-2H3
InChIKeyRFVUWXQXOZDZKG-UHFFFAOYSA-N
MW115.22 g/mol
LogP2.11
Rot. Bonds2

About ethane;N-ethenyl-N-methylethanamine

ethane;N-ethenyl-N-methylethanamine (PubChem CID 176944347) has the molecular formula C7H17N and a molecular weight of 115.22 g/mol. Its IUPAC name is ethane;N-ethenyl-N-methylethanamine.

Molecular Properties

Compound Nameethane;N-ethenyl-N-methylethanamine
PubChem CID176944347
Molecular FormulaC7H17N
Molecular Weight115.22 g/mol
Exact Mass115.14
IUPAC Nameethane;N-ethenyl-N-methylethanamine
SMILESC=CN(C)CC.CC
InChIInChI=1S/C5H11N.C2H6/c1-4-6(3)5-2;1-2/h4H,1,5H2,2-3H3;1-2H3
InChIKeyRFVUWXQXOZDZKG-UHFFFAOYSA-N
XLogP2.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 123304907
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CID 21275121
N-ethenylsilyl-N-methylethanamine
CID 154082739
chlorosilane;N-ethenyl-N-ethylethanamine
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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethenyl-N-methylethanamine?
The IUPAC name of ethane;N-ethenyl-N-methylethanamine (CID 176944347) is ethane;N-ethenyl-N-methylethanamine.
What is the SMILES notation for ethane;N-ethenyl-N-methylethanamine?
The canonical SMILES for ethane;N-ethenyl-N-methylethanamine is C=CN(C)CC.CC.
What is the InChIKey of ethane;N-ethenyl-N-methylethanamine?
The InChIKey is RFVUWXQXOZDZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C2H6/c1-4-6(3)5-2;1-2/h4H,1,5H2,2-3H3;1-2H3.
What are the key properties of ethane;N-ethenyl-N-methylethanamine?
ethane;N-ethenyl-N-methylethanamine has a molecular weight of 115.22 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethenyl-N-methylethanamine is sourced from PubChem (CID 176944347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).