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

C8H17N — CID 101374933

IUPAC2-ethyl-N,N-dimethylbut-1-en-1-amine
SMILESCCC(=CN(C)C)CC
InChIInChI=1S/C8H17N/c1-5-8(6-2)7-9(3)4/h7H,5-6H2,1-4H3
InChIKeySTWTXSWNOSMXLR-UHFFFAOYSA-N
MW127.23 g/mol
LogP2.25
Rot. Bonds3

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

2-ethyl-N,N-dimethylbut-1-en-1-amine (PubChem CID 101374933) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 2-ethyl-N,N-dimethylbut-1-en-1-amine.

Molecular Properties

Compound Name2-ethyl-N,N-dimethylbut-1-en-1-amine
PubChem CID101374933
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name2-ethyl-N,N-dimethylbut-1-en-1-amine
SMILESCCC(=CN(C)C)CC
InChIInChI=1S/C8H17N/c1-5-8(6-2)7-9(3)4/h7H,5-6H2,1-4H3
InChIKeySTWTXSWNOSMXLR-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohexylidene-N,N-dimethylmethanamine
CID 12542934
N-(cyclohexylidenemethyl)-N-ethylethanamine
CID 12584844
N,N-Diethyl-2-methylprop-1-en-1-amine
CID 12693439
(Z)-4-fluoro-N,N,2-trimethyl-3-methylidenepent-1-en-1-amine
CID 143551208
(1Z)-2-ethyl-3-(fluoromethyl)-N,N-dimethylbuta-1,3-dien-1-amine
CID 154937376
(1E)-N-(2-fluoroethyl)-N,2,6-trimethylhepta-1,6-dien-1-amine
CID 155274989
N-(cyclopentylidenemethyl)-N-ethylethanamine
CID 12584846
(Z)-N,N,2-trimethylbut-1-en-1-amine
CID 12816149
1-Diethylamino-2-methyl-1-pentene
CID 129663481
(Z)-N,N,2-trimethylhex-1-en-1-amine
CID 134875029
(Z)-2-ethyl-N,N-dimethylhex-1-en-1-amine
CID 134894583
3-Ethylpenta-1,2-dienyl(trimethyl)azanium chloride
CID 134932135

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,N-dimethylbut-1-en-1-amine?
The IUPAC name of 2-ethyl-N,N-dimethylbut-1-en-1-amine (CID 101374933) is 2-ethyl-N,N-dimethylbut-1-en-1-amine.
What is the SMILES notation for 2-ethyl-N,N-dimethylbut-1-en-1-amine?
The canonical SMILES for 2-ethyl-N,N-dimethylbut-1-en-1-amine is CCC(=CN(C)C)CC.
What is the InChIKey of 2-ethyl-N,N-dimethylbut-1-en-1-amine?
The InChIKey is STWTXSWNOSMXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-5-8(6-2)7-9(3)4/h7H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-N,N-dimethylbut-1-en-1-amine?
2-ethyl-N,N-dimethylbut-1-en-1-amine has a molecular weight of 127.23 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N-dimethylbut-1-en-1-amine is sourced from PubChem (CID 101374933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).