(E)-N,N-dimethylbut-1-en-3-yn-1-amine

C6H9N — CID 5463021

IUPAC(E)-N,N-dimethylbut-1-en-3-yn-1-amine
SMILESC#C/C=C/N(C)C
InChIInChI=1S/C6H9N/c1-4-5-6-7(2)3/h1,5-6H,2-3H3/b6-5+
InChIKeyRPGUSJXDACYPMP-AATRIKPKSA-N
MW95.14 g/mol
LogP0.69
Rot. Bonds1

About (E)-N,N-dimethylbut-1-en-3-yn-1-amine

(E)-N,N-dimethylbut-1-en-3-yn-1-amine (PubChem CID 5463021) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is (E)-N,N-dimethylbut-1-en-3-yn-1-amine.

Molecular Properties

Compound Name(E)-N,N-dimethylbut-1-en-3-yn-1-amine
PubChem CID5463021
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name(E)-N,N-dimethylbut-1-en-3-yn-1-amine
SMILESC#C/C=C/N(C)C
InChIInChI=1S/C6H9N/c1-4-5-6-7(2)3/h1,5-6H,2-3H3/b6-5+
InChIKeyRPGUSJXDACYPMP-AATRIKPKSA-N
XLogP0.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 50.69
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

CH3CH=Chn(CH3)2
CID 5463365
1-Buten-3-yn-1-amine, N,N-diethyl-
CID 5462955
Ethynylvinyldiethylamine
CID 137223
Dimethylaminopropylene
CID 521982
Dimethyl(4-penten-2-ynyl)amine
CID 12256230
N-methyldipropenylamine
CID 12475945
Methylbis(1-propenyl)amine
CID 85440007
(Z)-N,N-dimethylbut-1-en-3-yn-1-amine
CID 134978119
(Z)-N-methyl-N-[(E)-prop-1-enyl]prop-1-en-1-amine
CID 134932048
(Z)-5-(dimethylamino)pent-4-en-2-ynenitrile
CID 134976602
(Z)-N,N-diethylbut-1-en-3-yn-1-amine
CID 134995068
N-ethenyl-N-methylpropa-1,2-dien-1-amine
CID 139243672

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethylbut-1-en-3-yn-1-amine?
The IUPAC name of (E)-N,N-dimethylbut-1-en-3-yn-1-amine (CID 5463021) is (E)-N,N-dimethylbut-1-en-3-yn-1-amine.
What is the SMILES notation for (E)-N,N-dimethylbut-1-en-3-yn-1-amine?
The canonical SMILES for (E)-N,N-dimethylbut-1-en-3-yn-1-amine is C#C/C=C/N(C)C.
What is the InChIKey of (E)-N,N-dimethylbut-1-en-3-yn-1-amine?
The InChIKey is RPGUSJXDACYPMP-AATRIKPKSA-N. The full InChI is InChI=1S/C6H9N/c1-4-5-6-7(2)3/h1,5-6H,2-3H3/b6-5+.
What are the key properties of (E)-N,N-dimethylbut-1-en-3-yn-1-amine?
(E)-N,N-dimethylbut-1-en-3-yn-1-amine has a molecular weight of 95.14 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethylbut-1-en-3-yn-1-amine is sourced from PubChem (CID 5463021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).