ethane;N,N,3-trimethylbut-3-en-1-amine

C9H21N — CID 143558178

IUPACethane;N,N,3-trimethylbut-3-en-1-amine
SMILESC=C(C)CCN(C)C.CC
InChIInChI=1S/C7H15N.C2H6/c1-7(2)5-6-8(3)4;1-2/h1,5-6H2,2-4H3;1-2H3
InChIKeyRPNQKMFLAPBUQH-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.54
Rot. Bonds3

About ethane;N,N,3-trimethylbut-3-en-1-amine

ethane;N,N,3-trimethylbut-3-en-1-amine (PubChem CID 143558178) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is ethane;N,N,3-trimethylbut-3-en-1-amine.

Molecular Properties

Compound Nameethane;N,N,3-trimethylbut-3-en-1-amine
PubChem CID143558178
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Nameethane;N,N,3-trimethylbut-3-en-1-amine
SMILESC=C(C)CCN(C)C.CC
InChIInChI=1S/C7H15N.C2H6/c1-7(2)5-6-8(3)4;1-2/h1,5-6H2,2-4H3;1-2H3
InChIKeyRPNQKMFLAPBUQH-UHFFFAOYSA-N
XLogP2.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.54
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,3-trimethylbut-3-en-1-amine?
The IUPAC name of ethane;N,N,3-trimethylbut-3-en-1-amine (CID 143558178) is ethane;N,N,3-trimethylbut-3-en-1-amine.
What is the SMILES notation for ethane;N,N,3-trimethylbut-3-en-1-amine?
The canonical SMILES for ethane;N,N,3-trimethylbut-3-en-1-amine is C=C(C)CCN(C)C.CC.
What is the InChIKey of ethane;N,N,3-trimethylbut-3-en-1-amine?
The InChIKey is RPNQKMFLAPBUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C2H6/c1-7(2)5-6-8(3)4;1-2/h1,5-6H2,2-4H3;1-2H3.
What are the key properties of ethane;N,N,3-trimethylbut-3-en-1-amine?
ethane;N,N,3-trimethylbut-3-en-1-amine has a molecular weight of 143.27 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,N,3-trimethylbut-3-en-1-amine is sourced from PubChem (CID 143558178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).