N-methyl-3,6-dihydro-2H-pyridin-1-amine;hydrochloride

C6H13ClN2 — CID 19376038

IUPACN-methyl-3,6-dihydro-2H-pyridin-1-amine;hydrochloride
SMILESCNN1CC=CCC1.Cl
InChIInChI=1S/C6H12N2.ClH/c1-7-8-5-3-2-4-6-8;/h2-3,7H,4-6H2,1H3;1H
InChIKeyJEFUCIINRMPSBM-UHFFFAOYSA-N
MW148.64 g/mol
LogP0.80
Rot. Bonds1

About N-methyl-3,6-dihydro-2H-pyridin-1-amine;hydrochloride

N-methyl-3,6-dihydro-2H-pyridin-1-amine;hydrochloride (PubChem CID 19376038) has the molecular formula C6H13ClN2 and a molecular weight of 148.64 g/mol. Its IUPAC name is N-methyl-3,6-dihydro-2H-pyridin-1-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-3,6-dihydro-2H-pyridin-1-amine;hydrochloride
PubChem CID19376038
Molecular FormulaC6H13ClN2
Molecular Weight148.64 g/mol
Exact Mass148.08
IUPAC NameN-methyl-3,6-dihydro-2H-pyridin-1-amine;hydrochloride
SMILESCNN1CC=CCC1.Cl
InChIInChI=1S/C6H12N2.ClH/c1-7-8-5-3-2-4-6-8;/h2-3,7H,4-6H2,1H3;1H
InChIKeyJEFUCIINRMPSBM-UHFFFAOYSA-N
XLogP0.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.64
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3,6-dihydro-2H-pyridin-1-amine;hydrochloride?
The IUPAC name of N-methyl-3,6-dihydro-2H-pyridin-1-amine;hydrochloride (CID 19376038) is N-methyl-3,6-dihydro-2H-pyridin-1-amine;hydrochloride.
What is the SMILES notation for N-methyl-3,6-dihydro-2H-pyridin-1-amine;hydrochloride?
The canonical SMILES for N-methyl-3,6-dihydro-2H-pyridin-1-amine;hydrochloride is CNN1CC=CCC1.Cl.
What is the InChIKey of N-methyl-3,6-dihydro-2H-pyridin-1-amine;hydrochloride?
The InChIKey is JEFUCIINRMPSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.ClH/c1-7-8-5-3-2-4-6-8;/h2-3,7H,4-6H2,1H3;1H.
What are the key properties of N-methyl-3,6-dihydro-2H-pyridin-1-amine;hydrochloride?
N-methyl-3,6-dihydro-2H-pyridin-1-amine;hydrochloride has a molecular weight of 148.64 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3,6-dihydro-2H-pyridin-1-amine;hydrochloride is sourced from PubChem (CID 19376038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).