(Z)-N,N-diethylbut-2-en-1-amine

C8H17N — CID 5364610

IUPAC(Z)-N,N-diethylbut-2-en-1-amine
SMILESC/C=C\CN(CC)CC
InChIInChI=1S/C8H17N/c1-4-7-8-9(5-2)6-3/h4,7H,5-6,8H2,1-3H3/b7-4-
InChIKeyJAGLTDLJKOOIND-DAXSKMNVSA-N
MW127.23 g/mol
LogP1.90
Rot. Bonds4

About (Z)-N,N-diethylbut-2-en-1-amine

(Z)-N,N-diethylbut-2-en-1-amine (PubChem CID 5364610) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (Z)-N,N-diethylbut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N,N-diethylbut-2-en-1-amine
PubChem CID5364610
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(Z)-N,N-diethylbut-2-en-1-amine
SMILESC/C=C\CN(CC)CC
InChIInChI=1S/C8H17N/c1-4-7-8-9(5-2)6-3/h4,7H,5-6,8H2,1-3H3/b7-4-
InChIKeyJAGLTDLJKOOIND-DAXSKMNVSA-N
XLogP1.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Diallyldimethylammonium chloride
CID 33286
Triallylamine
CID 7617
N,N-Dimethylallylamine
CID 75082
Diallylmethylamine
CID 75501
2-Propen-1-amine, N,N-diethyl-
CID 79748
2-Butenyldiamine, N,N,N',N'-tetraethyl-
CID 66922
2-Propen-1-aminium, N,N,N-tri-2-propen-1-yl-, chloride (1:1)
CID 11264347
Allyltriethylammonium iodide
CID 20151
2-Propen-1-aminium, N,N,N-triethyl-, bromide (1:1)
CID 122377
(2E)-N1,N1,N4,N4-Tetramethyl-2-butene-1,4-diamine
CID 5365279
2-Propen-1-aminium, N,N-diethyl-N-2-propen-1-yl-, chloride (1:1)
CID 83148
2,5-Dihydro-1-methylpyrrole
CID 136355

Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-diethylbut-2-en-1-amine?
The IUPAC name of (Z)-N,N-diethylbut-2-en-1-amine (CID 5364610) is (Z)-N,N-diethylbut-2-en-1-amine.
What is the SMILES notation for (Z)-N,N-diethylbut-2-en-1-amine?
The canonical SMILES for (Z)-N,N-diethylbut-2-en-1-amine is C/C=C\CN(CC)CC.
What is the InChIKey of (Z)-N,N-diethylbut-2-en-1-amine?
The InChIKey is JAGLTDLJKOOIND-DAXSKMNVSA-N. The full InChI is InChI=1S/C8H17N/c1-4-7-8-9(5-2)6-3/h4,7H,5-6,8H2,1-3H3/b7-4-.
What are the key properties of (Z)-N,N-diethylbut-2-en-1-amine?
(Z)-N,N-diethylbut-2-en-1-amine has a molecular weight of 127.23 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-diethylbut-2-en-1-amine is sourced from PubChem (CID 5364610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).