1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-prop-2-ynoxymethanimine;hydrochloride

C10H15ClN2O — CID 3072071

IUPAC1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-prop-2-ynoxymethanimine;hydrochloride
SMILESC#CCON=CC1=CCCN(C)C1.Cl
InChIInChI=1S/C10H14N2O.ClH/c1-3-7-13-11-8-10-5-4-6-12(2)9-10;/h1,5,8H,4,6-7,9H2,2H3;1H
InChIKeyLSCRMWXZUHWSAX-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.31
Rot. Bonds3

About 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-prop-2-ynoxymethanimine;hydrochloride

1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-prop-2-ynoxymethanimine;hydrochloride (PubChem CID 3072071) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-prop-2-ynoxymethanimine;hydrochloride.

Molecular Properties

Compound Name1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-prop-2-ynoxymethanimine;hydrochloride
PubChem CID3072071
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-prop-2-ynoxymethanimine;hydrochloride
SMILESC#CCON=CC1=CCCN(C)C1.Cl
InChIInChI=1S/C10H14N2O.ClH/c1-3-7-13-11-8-10-5-4-6-12(2)9-10;/h1,5,8H,4,6-7,9H2,2H3;1H
InChIKeyLSCRMWXZUHWSAX-UHFFFAOYSA-N
XLogP1.31
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-prop-2-ynoxymethanimine;hydrochloride?
The IUPAC name of 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-prop-2-ynoxymethanimine;hydrochloride (CID 3072071) is 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-prop-2-ynoxymethanimine;hydrochloride.
What is the SMILES notation for 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-prop-2-ynoxymethanimine;hydrochloride?
The canonical SMILES for 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-prop-2-ynoxymethanimine;hydrochloride is C#CCON=CC1=CCCN(C)C1.Cl.
What is the InChIKey of 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-prop-2-ynoxymethanimine;hydrochloride?
The InChIKey is LSCRMWXZUHWSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.ClH/c1-3-7-13-11-8-10-5-4-6-12(2)9-10;/h1,5,8H,4,6-7,9H2,2H3;1H.
What are the key properties of 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-prop-2-ynoxymethanimine;hydrochloride?
1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-prop-2-ynoxymethanimine;hydrochloride has a molecular weight of 214.70 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-prop-2-ynoxymethanimine;hydrochloride is sourced from PubChem (CID 3072071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).