ethane;N,N,3-trimethylbut-2-en-2-amine

C9H21N — CID 142512148

IUPACethane;N,N,3-trimethylbut-2-en-2-amine
SMILESCC.CC(C)=C(C)N(C)C
InChIInChI=1S/C7H15N.C2H6/c1-6(2)7(3)8(4)5;1-2/h1-5H3;1-2H3
InChIKeyABDSVEXYLXAGQM-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.89
Rot. Bonds1

About ethane;N,N,3-trimethylbut-2-en-2-amine

ethane;N,N,3-trimethylbut-2-en-2-amine (PubChem CID 142512148) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is ethane;N,N,3-trimethylbut-2-en-2-amine.

Molecular Properties

Compound Nameethane;N,N,3-trimethylbut-2-en-2-amine
PubChem CID142512148
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Nameethane;N,N,3-trimethylbut-2-en-2-amine
SMILESCC.CC(C)=C(C)N(C)C
InChIInChI=1S/C7H15N.C2H6/c1-6(2)7(3)8(4)5;1-2/h1-5H3;1-2H3
InChIKeyABDSVEXYLXAGQM-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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

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Related Compounds

Pentamethyl propyleneamine
CID 129720895
N,N,3-trimethylbut-2-en-2-amine
CID 15569623
N-ethyl-N,3-dimethylbut-2-en-2-amine
CID 54475028
N,N,3-trimethylpent-2-en-2-amine
CID 57553790
N-ethyl-3-methyl-N-propan-2-ylbut-2-en-2-amine
CID 89031029
N,3-dimethyl-N-prop-1-en-2-ylbut-2-en-2-amine
CID 89343037
N-tert-butyl-N,3-dimethylbut-2-en-2-amine
CID 124177601
N-tert-butyl-3-methyl-N-propan-2-ylbut-2-en-2-amine
CID 126735403
N,3-dimethyl-N-propylbut-2-en-2-amine
CID 129106801
(E)-N,N,3-trimethylpent-2-en-2-amine
CID 146838610
N,N-dimethylprop-1-en-2-amine;methane;2-methylprop-1-ene
CID 159548709
CID 159767958
CID 159767958

Frequently Asked Questions

What is the IUPAC name of ethane;N,N,3-trimethylbut-2-en-2-amine?
The IUPAC name of ethane;N,N,3-trimethylbut-2-en-2-amine (CID 142512148) is ethane;N,N,3-trimethylbut-2-en-2-amine.
What is the SMILES notation for ethane;N,N,3-trimethylbut-2-en-2-amine?
The canonical SMILES for ethane;N,N,3-trimethylbut-2-en-2-amine is CC.CC(C)=C(C)N(C)C.
What is the InChIKey of ethane;N,N,3-trimethylbut-2-en-2-amine?
The InChIKey is ABDSVEXYLXAGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C2H6/c1-6(2)7(3)8(4)5;1-2/h1-5H3;1-2H3.
What are the key properties of ethane;N,N,3-trimethylbut-2-en-2-amine?
ethane;N,N,3-trimethylbut-2-en-2-amine has a molecular weight of 143.27 g/mol, XLogP of 2.89, 1 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-2-en-2-amine is sourced from PubChem (CID 142512148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).