N-ethyl-N,3-dimethylbut-1-en-2-amine

C8H17N — CID 126658898

IUPACN-ethyl-N,3-dimethylbut-1-en-2-amine
SMILESC=C(C(C)C)N(C)CC
InChIInChI=1S/C8H17N/c1-6-9(5)8(4)7(2)3/h7H,4,6H2,1-3,5H3
InChIKeyYTDZAHACGXTTGD-UHFFFAOYSA-N
MW127.23 g/mol
LogP2.11
Rot. Bonds3

About N-ethyl-N,3-dimethylbut-1-en-2-amine

N-ethyl-N,3-dimethylbut-1-en-2-amine (PubChem CID 126658898) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is N-ethyl-N,3-dimethylbut-1-en-2-amine.

Molecular Properties

Compound NameN-ethyl-N,3-dimethylbut-1-en-2-amine
PubChem CID126658898
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC NameN-ethyl-N,3-dimethylbut-1-en-2-amine
SMILESC=C(C(C)C)N(C)CC
InChIInChI=1S/C8H17N/c1-6-9(5)8(4)7(2)3/h7H,4,6H2,1-3,5H3
InChIKeyYTDZAHACGXTTGD-UHFFFAOYSA-N
XLogP2.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.11
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-1-en-2-amine?
The IUPAC name of N-ethyl-N,3-dimethylbut-1-en-2-amine (CID 126658898) is N-ethyl-N,3-dimethylbut-1-en-2-amine.
What is the SMILES notation for N-ethyl-N,3-dimethylbut-1-en-2-amine?
The canonical SMILES for N-ethyl-N,3-dimethylbut-1-en-2-amine is C=C(C(C)C)N(C)CC.
What is the InChIKey of N-ethyl-N,3-dimethylbut-1-en-2-amine?
The InChIKey is YTDZAHACGXTTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-6-9(5)8(4)7(2)3/h7H,4,6H2,1-3,5H3.
What are the key properties of N-ethyl-N,3-dimethylbut-1-en-2-amine?
N-ethyl-N,3-dimethylbut-1-en-2-amine has a molecular weight of 127.23 g/mol, XLogP of 2.11, 3 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-1-en-2-amine is sourced from PubChem (CID 126658898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).