N-methyl-N-prop-2-ynyl-2-thiophen-2-ylprop-2-en-1-amine

C11H13NS — CID 118140947

IUPACN-methyl-N-prop-2-ynyl-2-thiophen-2-ylprop-2-en-1-amine
SMILESC#CCN(C)CC(=C)c1cccs1
InChIInChI=1S/C11H13NS/c1-4-7-12(3)9-10(2)11-6-5-8-13-11/h1,5-6,8H,2,7,9H2,3H3
InChIKeyGPXOXKSGBIOBCA-UHFFFAOYSA-N
MW191.30 g/mol
LogP2.33
Rot. Bonds4

About N-methyl-N-prop-2-ynyl-2-thiophen-2-ylprop-2-en-1-amine

N-methyl-N-prop-2-ynyl-2-thiophen-2-ylprop-2-en-1-amine (PubChem CID 118140947) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is N-methyl-N-prop-2-ynyl-2-thiophen-2-ylprop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-N-prop-2-ynyl-2-thiophen-2-ylprop-2-en-1-amine
PubChem CID118140947
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC NameN-methyl-N-prop-2-ynyl-2-thiophen-2-ylprop-2-en-1-amine
SMILESC#CCN(C)CC(=C)c1cccs1
InChIInChI=1S/C11H13NS/c1-4-7-12(3)9-10(2)11-6-5-8-13-11/h1,5-6,8H,2,7,9H2,3H3
InChIKeyGPXOXKSGBIOBCA-UHFFFAOYSA-N
XLogP2.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-N-methyl-N-prop-2-ynylprop-2-en-1-amine
CID 118152238
N-methyl-4-thiophen-2-ylpenta-1,4-dien-2-amine
CID 118474921
N-methyl-N-(1-thiophen-2-ylethyl)prop-2-yn-1-amine
CID 60699685
N'-[4-[[cyanomethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide;N'-[4-[[methyl(prop-2-ynyl)amino]methyl]phenyl]thiophene-2-carboximidamide
CID 87905806
2-[methyl(2-methylpropyl)amino]-1-thiophen-2-ylethanone
CID 43795696
ethene;2-(1-thiophen-2-ylethenyl)thiophene
CID 174797517
N-methyl-2-(1-methylindazol-5-yl)-N-prop-2-ynylprop-2-en-1-amine
CID 118152205
N-methyl-3-[methyl-(2-oxo-2-thiophen-2-ylethyl)amino]propanamide
CID 106916547
1-thiophen-2-ylethenyl N,N-dimethylcarbamate
CID 102228105
1-thiophen-2-ylpropan-1-one
CID 26179
2-(1-ethylsulfanylethenyl)thiophene
CID 142318673
2-[methyl-[(3-methylphenyl)methyl]amino]-1-thiophen-2-ylethanone
CID 62030952

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-2-ynyl-2-thiophen-2-ylprop-2-en-1-amine?
The IUPAC name of N-methyl-N-prop-2-ynyl-2-thiophen-2-ylprop-2-en-1-amine (CID 118140947) is N-methyl-N-prop-2-ynyl-2-thiophen-2-ylprop-2-en-1-amine.
What is the SMILES notation for N-methyl-N-prop-2-ynyl-2-thiophen-2-ylprop-2-en-1-amine?
The canonical SMILES for N-methyl-N-prop-2-ynyl-2-thiophen-2-ylprop-2-en-1-amine is C#CCN(C)CC(=C)c1cccs1.
What is the InChIKey of N-methyl-N-prop-2-ynyl-2-thiophen-2-ylprop-2-en-1-amine?
The InChIKey is GPXOXKSGBIOBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c1-4-7-12(3)9-10(2)11-6-5-8-13-11/h1,5-6,8H,2,7,9H2,3H3.
What are the key properties of N-methyl-N-prop-2-ynyl-2-thiophen-2-ylprop-2-en-1-amine?
N-methyl-N-prop-2-ynyl-2-thiophen-2-ylprop-2-en-1-amine has a molecular weight of 191.30 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-ynyl-2-thiophen-2-ylprop-2-en-1-amine is sourced from PubChem (CID 118140947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).