(Z)-2-ethynyl-N-methylbut-2-en-1-amine

C7H11N — CID 177172264

IUPAC(Z)-2-ethynyl-N-methylbut-2-en-1-amine
SMILESC#C/C(=C/C)CNC
InChIInChI=1S/C7H11N/c1-4-7(5-2)6-8-3/h1,5,8H,6H2,2-3H3/b7-5-
InChIKeyGZKSUYOKMVHDPK-ALCCZGGFSA-N
MW109.17 g/mol
LogP0.79
Rot. Bonds2

About (Z)-2-ethynyl-N-methylbut-2-en-1-amine

(Z)-2-ethynyl-N-methylbut-2-en-1-amine (PubChem CID 177172264) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is (Z)-2-ethynyl-N-methylbut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-ethynyl-N-methylbut-2-en-1-amine
PubChem CID177172264
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name(Z)-2-ethynyl-N-methylbut-2-en-1-amine
SMILESC#C/C(=C/C)CNC
InChIInChI=1S/C7H11N/c1-4-7(5-2)6-8-3/h1,5,8H,6H2,2-3H3/b7-5-
InChIKeyGZKSUYOKMVHDPK-ALCCZGGFSA-N
XLogP0.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)ethanedithioic acid
CID 141088793
(Z)-but-2-ene;N-methylethanamine
CID 171622053
ethene;(E)-2-ethenyl-N-methylbut-2-en-1-amine
CID 143499023
N-methyl-3-methylidenepent-4-yn-1-amine
CID 156648407
(Z)-2-ethylsulfanyl-N-methylbut-2-en-1-amine
CID 143258861
(Z)-2-ethoxy-N-methylbut-2-en-1-amine
CID 143377801
(E)-1-(methylamino)-3-propylhept-3-en-6-yn-2-one
CID 163416834
N,N-dimethyl-2-(methylamino)ethanethioamide
CID 89279941
(E)-2-tert-butyl-N-methylpent-1-en-4-yn-1-amine
CID 130178755
(Z)-N-methyl-2-methyliminopent-3-en-1-amine
CID 143155280
1-(methylamino)pent-3-en-2-one;xenon;hydrofluoride
CID 172819969
4-ethynyloct-4-ene
CID 85203899

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethynyl-N-methylbut-2-en-1-amine?
The IUPAC name of (Z)-2-ethynyl-N-methylbut-2-en-1-amine (CID 177172264) is (Z)-2-ethynyl-N-methylbut-2-en-1-amine.
What is the SMILES notation for (Z)-2-ethynyl-N-methylbut-2-en-1-amine?
The canonical SMILES for (Z)-2-ethynyl-N-methylbut-2-en-1-amine is C#C/C(=C/C)CNC.
What is the InChIKey of (Z)-2-ethynyl-N-methylbut-2-en-1-amine?
The InChIKey is GZKSUYOKMVHDPK-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H11N/c1-4-7(5-2)6-8-3/h1,5,8H,6H2,2-3H3/b7-5-.
What are the key properties of (Z)-2-ethynyl-N-methylbut-2-en-1-amine?
(Z)-2-ethynyl-N-methylbut-2-en-1-amine has a molecular weight of 109.17 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethynyl-N-methylbut-2-en-1-amine is sourced from PubChem (CID 177172264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).