N-ethyl-N,3-dimethylbut-2-en-2-amine

C8H17N — CID 54475028

IUPACN-ethyl-N,3-dimethylbut-2-en-2-amine
SMILESCCN(C)C(C)=C(C)C
InChIInChI=1S/C8H17N/c1-6-9(5)8(4)7(2)3/h6H2,1-5H3
InChIKeyXKYOFQKNGKIWLK-UHFFFAOYSA-N
MW127.23 g/mol
LogP2.25
Rot. Bonds2

About N-ethyl-N,3-dimethylbut-2-en-2-amine

N-ethyl-N,3-dimethylbut-2-en-2-amine (PubChem CID 54475028) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is N-ethyl-N,3-dimethylbut-2-en-2-amine.

Molecular Properties

Compound NameN-ethyl-N,3-dimethylbut-2-en-2-amine
PubChem CID54475028
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC NameN-ethyl-N,3-dimethylbut-2-en-2-amine
SMILESCCN(C)C(C)=C(C)C
InChIInChI=1S/C8H17N/c1-6-9(5)8(4)7(2)3/h6H2,1-5H3
InChIKeyXKYOFQKNGKIWLK-UHFFFAOYSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,3-dimethylbut-2-en-2-amine?
The IUPAC name of N-ethyl-N,3-dimethylbut-2-en-2-amine (CID 54475028) is N-ethyl-N,3-dimethylbut-2-en-2-amine.
What is the SMILES notation for N-ethyl-N,3-dimethylbut-2-en-2-amine?
The canonical SMILES for N-ethyl-N,3-dimethylbut-2-en-2-amine is CCN(C)C(C)=C(C)C.
What is the InChIKey of N-ethyl-N,3-dimethylbut-2-en-2-amine?
The InChIKey is XKYOFQKNGKIWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-6-9(5)8(4)7(2)3/h6H2,1-5H3.
What are the key properties of N-ethyl-N,3-dimethylbut-2-en-2-amine?
N-ethyl-N,3-dimethylbut-2-en-2-amine has a molecular weight of 127.23 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,3-dimethylbut-2-en-2-amine is sourced from PubChem (CID 54475028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).