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

C11H14ClNS — CID 118733555

IUPACN-methyl-N-prop-2-ynyl-2-thiophen-2-ylprop-2-en-1-amine;hydrochloride
SMILESC#CCN(C)CC(=C)c1cccs1.Cl
InChIInChI=1S/C11H13NS.ClH/c1-4-7-12(3)9-10(2)11-6-5-8-13-11;/h1,5-6,8H,2,7,9H2,3H3;1H
InChIKeyBEOBVKAPEKVAAI-UHFFFAOYSA-N
MW227.76 g/mol
LogP2.75
Rot. Bonds4

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

N-methyl-N-prop-2-ynyl-2-thiophen-2-ylprop-2-en-1-amine;hydrochloride (PubChem CID 118733555) has the molecular formula C11H14ClNS and a molecular weight of 227.76 g/mol. Its IUPAC name is N-methyl-N-prop-2-ynyl-2-thiophen-2-ylprop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-prop-2-ynyl-2-thiophen-2-ylprop-2-en-1-amine;hydrochloride
PubChem CID118733555
Molecular FormulaC11H14ClNS
Molecular Weight227.76 g/mol
Exact Mass227.05
IUPAC NameN-methyl-N-prop-2-ynyl-2-thiophen-2-ylprop-2-en-1-amine;hydrochloride
SMILESC#CCN(C)CC(=C)c1cccs1.Cl
InChIInChI=1S/C11H13NS.ClH/c1-4-7-12(3)9-10(2)11-6-5-8-13-11;/h1,5-6,8H,2,7,9H2,3H3;1H
InChIKeyBEOBVKAPEKVAAI-UHFFFAOYSA-N
XLogP2.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-2-ynyl-2-thiophen-2-ylprop-2-en-1-amine;hydrochloride?
The IUPAC name of N-methyl-N-prop-2-ynyl-2-thiophen-2-ylprop-2-en-1-amine;hydrochloride (CID 118733555) is N-methyl-N-prop-2-ynyl-2-thiophen-2-ylprop-2-en-1-amine;hydrochloride.
What is the SMILES notation for N-methyl-N-prop-2-ynyl-2-thiophen-2-ylprop-2-en-1-amine;hydrochloride?
The canonical SMILES for N-methyl-N-prop-2-ynyl-2-thiophen-2-ylprop-2-en-1-amine;hydrochloride is C#CCN(C)CC(=C)c1cccs1.Cl.
What is the InChIKey of N-methyl-N-prop-2-ynyl-2-thiophen-2-ylprop-2-en-1-amine;hydrochloride?
The InChIKey is BEOBVKAPEKVAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS.ClH/c1-4-7-12(3)9-10(2)11-6-5-8-13-11;/h1,5-6,8H,2,7,9H2,3H3;1H.
What are the key properties of N-methyl-N-prop-2-ynyl-2-thiophen-2-ylprop-2-en-1-amine;hydrochloride?
N-methyl-N-prop-2-ynyl-2-thiophen-2-ylprop-2-en-1-amine;hydrochloride has a molecular weight of 227.76 g/mol, XLogP of 2.75, 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;hydrochloride is sourced from PubChem (CID 118733555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).