N-(2-chloroethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride

C7H14Cl2N2 — CID 71308035

IUPACN-(2-chloroethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride
SMILESCl.ClCCNC1=NCCCC1
InChIInChI=1S/C7H13ClN2.ClH/c8-4-6-10-7-3-1-2-5-9-7;/h1-6H2,(H,9,10);1H
InChIKeyYXBORWOHGLARAZ-UHFFFAOYSA-N
MW197.11 g/mol
LogP1.82
Rot. Bonds2

About N-(2-chloroethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride

N-(2-chloroethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride (PubChem CID 71308035) has the molecular formula C7H14Cl2N2 and a molecular weight of 197.11 g/mol. Its IUPAC name is N-(2-chloroethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-chloroethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride
PubChem CID71308035
Molecular FormulaC7H14Cl2N2
Molecular Weight197.11 g/mol
Exact Mass196.05
IUPAC NameN-(2-chloroethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride
SMILESCl.ClCCNC1=NCCCC1
InChIInChI=1S/C7H13ClN2.ClH/c8-4-6-10-7-3-1-2-5-9-7;/h1-6H2,(H,9,10);1H
InChIKeyYXBORWOHGLARAZ-UHFFFAOYSA-N
XLogP1.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.11
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride?
The IUPAC name of N-(2-chloroethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride (CID 71308035) is N-(2-chloroethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride.
What is the SMILES notation for N-(2-chloroethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride?
The canonical SMILES for N-(2-chloroethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride is Cl.ClCCNC1=NCCCC1.
What is the InChIKey of N-(2-chloroethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride?
The InChIKey is YXBORWOHGLARAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClN2.ClH/c8-4-6-10-7-3-1-2-5-9-7;/h1-6H2,(H,9,10);1H.
What are the key properties of N-(2-chloroethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride?
N-(2-chloroethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride has a molecular weight of 197.11 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride is sourced from PubChem (CID 71308035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).