ethane;N,N,2-trimethylprop-2-en-1-amine

C8H19N — CID 153380728

IUPACethane;N,N,2-trimethylprop-2-en-1-amine
SMILESC=C(C)CN(C)C.CC
InChIInChI=1S/C6H13N.C2H6/c1-6(2)5-7(3)4;1-2/h1,5H2,2-4H3;1-2H3
InChIKeyAIAZAAUSJOFUBA-UHFFFAOYSA-N
MW129.25 g/mol
LogP2.15
Rot. Bonds2

About ethane;N,N,2-trimethylprop-2-en-1-amine

ethane;N,N,2-trimethylprop-2-en-1-amine (PubChem CID 153380728) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is ethane;N,N,2-trimethylprop-2-en-1-amine.

Molecular Properties

Compound Nameethane;N,N,2-trimethylprop-2-en-1-amine
PubChem CID153380728
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC Nameethane;N,N,2-trimethylprop-2-en-1-amine
SMILESC=C(C)CN(C)C.CC
InChIInChI=1S/C6H13N.C2H6/c1-6(2)5-7(3)4;1-2/h1,5H2,2-4H3;1-2H3
InChIKeyAIAZAAUSJOFUBA-UHFFFAOYSA-N
XLogP2.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N,N,2-trimethylprop-2-en-1-amine?
The IUPAC name of ethane;N,N,2-trimethylprop-2-en-1-amine (CID 153380728) is ethane;N,N,2-trimethylprop-2-en-1-amine.
What is the SMILES notation for ethane;N,N,2-trimethylprop-2-en-1-amine?
The canonical SMILES for ethane;N,N,2-trimethylprop-2-en-1-amine is C=C(C)CN(C)C.CC.
What is the InChIKey of ethane;N,N,2-trimethylprop-2-en-1-amine?
The InChIKey is AIAZAAUSJOFUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C2H6/c1-6(2)5-7(3)4;1-2/h1,5H2,2-4H3;1-2H3.
What are the key properties of ethane;N,N,2-trimethylprop-2-en-1-amine?
ethane;N,N,2-trimethylprop-2-en-1-amine has a molecular weight of 129.25 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,N,2-trimethylprop-2-en-1-amine is sourced from PubChem (CID 153380728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).