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

C5H11ClN2 — CID 19376047

IUPAC3,6-dihydro-2H-pyridin-1-amine;hydrochloride
SMILESCl.NN1CC=CCC1
InChIInChI=1S/C5H10N2.ClH/c6-7-4-2-1-3-5-7;/h1-2H,3-6H2;1H
InChIKeySZCMIMLOFSGXQX-UHFFFAOYSA-N
MW134.61 g/mol
LogP0.54
Rot. Bonds

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

3,6-dihydro-2H-pyridin-1-amine;hydrochloride (PubChem CID 19376047) has the molecular formula C5H11ClN2 and a molecular weight of 134.61 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyridin-1-amine;hydrochloride.

Molecular Properties

Compound Name3,6-dihydro-2H-pyridin-1-amine;hydrochloride
PubChem CID19376047
Molecular FormulaC5H11ClN2
Molecular Weight134.61 g/mol
Exact Mass134.06
IUPAC Name3,6-dihydro-2H-pyridin-1-amine;hydrochloride
SMILESCl.NN1CC=CCC1
InChIInChI=1S/C5H10N2.ClH/c6-7-4-2-1-3-5-7;/h1-2H,3-6H2;1H
InChIKeySZCMIMLOFSGXQX-UHFFFAOYSA-N
XLogP0.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-pyridin-1-amine;hydrochloride?
The IUPAC name of 3,6-dihydro-2H-pyridin-1-amine;hydrochloride (CID 19376047) is 3,6-dihydro-2H-pyridin-1-amine;hydrochloride.
What is the SMILES notation for 3,6-dihydro-2H-pyridin-1-amine;hydrochloride?
The canonical SMILES for 3,6-dihydro-2H-pyridin-1-amine;hydrochloride is Cl.NN1CC=CCC1.
What is the InChIKey of 3,6-dihydro-2H-pyridin-1-amine;hydrochloride?
The InChIKey is SZCMIMLOFSGXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2.ClH/c6-7-4-2-1-3-5-7;/h1-2H,3-6H2;1H.
What are the key properties of 3,6-dihydro-2H-pyridin-1-amine;hydrochloride?
3,6-dihydro-2H-pyridin-1-amine;hydrochloride has a molecular weight of 134.61 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyridin-1-amine;hydrochloride is sourced from PubChem (CID 19376047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).