ethane;(E)-N,N,2-trimethylbut-1-en-1-amine

C9H21N — CID 145011987

IUPACethane;(E)-N,N,2-trimethylbut-1-en-1-amine
SMILESCC.CC/C(C)=C/N(C)C
InChIInChI=1S/C7H15N.C2H6/c1-5-7(2)6-8(3)4;1-2/h6H,5H2,1-4H3;1-2H3/b7-6+;
InChIKeyDMKJZOMYLRQUKN-UHDJGPCESA-N
MW143.27 g/mol
LogP2.89
Rot. Bonds2

About ethane;(E)-N,N,2-trimethylbut-1-en-1-amine

ethane;(E)-N,N,2-trimethylbut-1-en-1-amine (PubChem CID 145011987) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is ethane;(E)-N,N,2-trimethylbut-1-en-1-amine.

Molecular Properties

Compound Nameethane;(E)-N,N,2-trimethylbut-1-en-1-amine
PubChem CID145011987
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Nameethane;(E)-N,N,2-trimethylbut-1-en-1-amine
SMILESCC.CC/C(C)=C/N(C)C
InChIInChI=1S/C7H15N.C2H6/c1-5-7(2)6-8(3)4;1-2/h6H,5H2,1-4H3;1-2H3/b7-6+;
InChIKeyDMKJZOMYLRQUKN-UHDJGPCESA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;(E)-N,N,2-trimethylbut-1-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-N,N,2-trimethylbut-1-en-1-amine?
The IUPAC name of ethane;(E)-N,N,2-trimethylbut-1-en-1-amine (CID 145011987) is ethane;(E)-N,N,2-trimethylbut-1-en-1-amine.
What is the SMILES notation for ethane;(E)-N,N,2-trimethylbut-1-en-1-amine?
The canonical SMILES for ethane;(E)-N,N,2-trimethylbut-1-en-1-amine is CC.CC/C(C)=C/N(C)C.
What is the InChIKey of ethane;(E)-N,N,2-trimethylbut-1-en-1-amine?
The InChIKey is DMKJZOMYLRQUKN-UHDJGPCESA-N. The full InChI is InChI=1S/C7H15N.C2H6/c1-5-7(2)6-8(3)4;1-2/h6H,5H2,1-4H3;1-2H3/b7-6+;.
What are the key properties of ethane;(E)-N,N,2-trimethylbut-1-en-1-amine?
ethane;(E)-N,N,2-trimethylbut-1-en-1-amine has a molecular weight of 143.27 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-N,N,2-trimethylbut-1-en-1-amine is sourced from PubChem (CID 145011987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).