N-methyl-2-prop-2-ynoxyethanamine;hydrochloride

C6H12ClNO — CID 71756239

IUPACN-methyl-2-prop-2-ynoxyethanamine;hydrochloride
SMILESC#CCOCCNC.Cl
InChIInChI=1S/C6H11NO.ClH/c1-3-5-8-6-4-7-2;/h1,7H,4-6H2,2H3;1H
InChIKeyPHROTOMTSCZAKP-UHFFFAOYSA-N
MW149.62 g/mol
LogP0.28
Rot. Bonds4

About N-methyl-2-prop-2-ynoxyethanamine;hydrochloride

N-methyl-2-prop-2-ynoxyethanamine;hydrochloride (PubChem CID 71756239) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is N-methyl-2-prop-2-ynoxyethanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-prop-2-ynoxyethanamine;hydrochloride
PubChem CID71756239
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC NameN-methyl-2-prop-2-ynoxyethanamine;hydrochloride
SMILESC#CCOCCNC.Cl
InChIInChI=1S/C6H11NO.ClH/c1-3-5-8-6-4-7-2;/h1,7H,4-6H2,2H3;1H
InChIKeyPHROTOMTSCZAKP-UHFFFAOYSA-N
XLogP0.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-prop-2-ynoxyethanamine;hydrochloride?
The IUPAC name of N-methyl-2-prop-2-ynoxyethanamine;hydrochloride (CID 71756239) is N-methyl-2-prop-2-ynoxyethanamine;hydrochloride.
What is the SMILES notation for N-methyl-2-prop-2-ynoxyethanamine;hydrochloride?
The canonical SMILES for N-methyl-2-prop-2-ynoxyethanamine;hydrochloride is C#CCOCCNC.Cl.
What is the InChIKey of N-methyl-2-prop-2-ynoxyethanamine;hydrochloride?
The InChIKey is PHROTOMTSCZAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.ClH/c1-3-5-8-6-4-7-2;/h1,7H,4-6H2,2H3;1H.
What are the key properties of N-methyl-2-prop-2-ynoxyethanamine;hydrochloride?
N-methyl-2-prop-2-ynoxyethanamine;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-prop-2-ynoxyethanamine;hydrochloride is sourced from PubChem (CID 71756239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).