N-methyl-N-prop-2-ynylfuran-2-amine;hydrochloride

C8H10ClNO — CID 118827293

IUPACN-methyl-N-prop-2-ynylfuran-2-amine;hydrochloride
SMILESC#CCN(C)c1ccco1.Cl
InChIInChI=1S/C8H9NO.ClH/c1-3-6-9(2)8-5-4-7-10-8;/h1,4-5,7H,6H2,2H3;1H
InChIKeyGYKJTMDDYBGPPM-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.77
Rot. Bonds2

About N-methyl-N-prop-2-ynylfuran-2-amine;hydrochloride

N-methyl-N-prop-2-ynylfuran-2-amine;hydrochloride (PubChem CID 118827293) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is N-methyl-N-prop-2-ynylfuran-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-prop-2-ynylfuran-2-amine;hydrochloride
PubChem CID118827293
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC NameN-methyl-N-prop-2-ynylfuran-2-amine;hydrochloride
SMILESC#CCN(C)c1ccco1.Cl
InChIInChI=1S/C8H9NO.ClH/c1-3-6-9(2)8-5-4-7-10-8;/h1,4-5,7H,6H2,2H3;1H
InChIKeyGYKJTMDDYBGPPM-UHFFFAOYSA-N
XLogP1.77
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.77
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-ynylfuran-2-amine;hydrochloride?
The IUPAC name of N-methyl-N-prop-2-ynylfuran-2-amine;hydrochloride (CID 118827293) is N-methyl-N-prop-2-ynylfuran-2-amine;hydrochloride.
What is the SMILES notation for N-methyl-N-prop-2-ynylfuran-2-amine;hydrochloride?
The canonical SMILES for N-methyl-N-prop-2-ynylfuran-2-amine;hydrochloride is C#CCN(C)c1ccco1.Cl.
What is the InChIKey of N-methyl-N-prop-2-ynylfuran-2-amine;hydrochloride?
The InChIKey is GYKJTMDDYBGPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.ClH/c1-3-6-9(2)8-5-4-7-10-8;/h1,4-5,7H,6H2,2H3;1H.
What are the key properties of N-methyl-N-prop-2-ynylfuran-2-amine;hydrochloride?
N-methyl-N-prop-2-ynylfuran-2-amine;hydrochloride has a molecular weight of 171.63 g/mol, XLogP of 1.77, 2 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-ynylfuran-2-amine;hydrochloride is sourced from PubChem (CID 118827293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).