(Z)-N,N-diethylbut-1-en-3-yn-1-amine

C8H13N — CID 134995068

IUPAC(Z)-N,N-diethylbut-1-en-3-yn-1-amine
SMILESC#C/C=C\N(CC)CC
InChIInChI=1S/C8H13N/c1-4-7-8-9(5-2)6-3/h1,7-8H,5-6H2,2-3H3/b8-7-
InChIKeyUDQMVAYZZYCMOT-FPLPWBNLSA-N
MW123.20 g/mol
LogP1.48
Rot. Bonds3

About (Z)-N,N-diethylbut-1-en-3-yn-1-amine

(Z)-N,N-diethylbut-1-en-3-yn-1-amine (PubChem CID 134995068) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (Z)-N,N-diethylbut-1-en-3-yn-1-amine.

Molecular Properties

Compound Name(Z)-N,N-diethylbut-1-en-3-yn-1-amine
PubChem CID134995068
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(Z)-N,N-diethylbut-1-en-3-yn-1-amine
SMILESC#C/C=C\N(CC)CC
InChIInChI=1S/C8H13N/c1-4-7-8-9(5-2)6-3/h1,7-8H,5-6H2,2-3H3/b8-7-
InChIKeyUDQMVAYZZYCMOT-FPLPWBNLSA-N
XLogP1.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

But-1-yne-3-ene, 4-dimethylamino-
CID 5463021
1-Buten-3-yn-1-amine, N,N-diethyl-
CID 5462955
Ethynylvinyldiethylamine
CID 137223
(Z)-N,N-dimethylbut-1-en-3-yn-1-amine
CID 134978119
Diethyl(4-penten-2-ynyl)amine
CID 11126321
But-3-en-1-ynyl-diethyl-amine
CID 12537155
Tri-n-propylstannylethynylvinyldiethylamine
CID 129805233
Tri-n-butylstannylethynylvinyldiethylamine
CID 129805263
Triethylstannylethynylvinyldiethylamine
CID 129805280
N,N,N',N'-Tetrakis(2-propyn-1-yl)ethylen-1,2-diamine
CID 139257283
Di(2-propynyl)aminoacrylonitryl
CID 5372677
N,N-dimethylbut-1-en-3-yn-1-amine
CID 137491

Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-diethylbut-1-en-3-yn-1-amine?
The IUPAC name of (Z)-N,N-diethylbut-1-en-3-yn-1-amine (CID 134995068) is (Z)-N,N-diethylbut-1-en-3-yn-1-amine.
What is the SMILES notation for (Z)-N,N-diethylbut-1-en-3-yn-1-amine?
The canonical SMILES for (Z)-N,N-diethylbut-1-en-3-yn-1-amine is C#C/C=C\N(CC)CC.
What is the InChIKey of (Z)-N,N-diethylbut-1-en-3-yn-1-amine?
The InChIKey is UDQMVAYZZYCMOT-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H13N/c1-4-7-8-9(5-2)6-3/h1,7-8H,5-6H2,2-3H3/b8-7-.
What are the key properties of (Z)-N,N-diethylbut-1-en-3-yn-1-amine?
(Z)-N,N-diethylbut-1-en-3-yn-1-amine has a molecular weight of 123.20 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-diethylbut-1-en-3-yn-1-amine is sourced from PubChem (CID 134995068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).