6-chloro-2-azaspiro[3.3]heptane;hydrochloride

C6H11Cl2N — CID 146050239

IUPAC6-chloro-2-azaspiro[3.3]heptane;hydrochloride
SMILESCl.ClC1CC2(CNC2)C1
InChIInChI=1S/C6H10ClN.ClH/c7-5-1-6(2-5)3-8-4-6;/h5,8H,1-4H2;1H
InChIKeyINHUIRKWCSKVCF-UHFFFAOYSA-N
MW168.07 g/mol
LogP1.40
Rot. Bonds

About 6-chloro-2-azaspiro[3.3]heptane;hydrochloride

6-chloro-2-azaspiro[3.3]heptane;hydrochloride (PubChem CID 146050239) has the molecular formula C6H11Cl2N and a molecular weight of 168.07 g/mol. Its IUPAC name is 6-chloro-2-azaspiro[3.3]heptane;hydrochloride.

Molecular Properties

Compound Name6-chloro-2-azaspiro[3.3]heptane;hydrochloride
PubChem CID146050239
Molecular FormulaC6H11Cl2N
Molecular Weight168.07 g/mol
Exact Mass167.03
IUPAC Name6-chloro-2-azaspiro[3.3]heptane;hydrochloride
SMILESCl.ClC1CC2(CNC2)C1
InChIInChI=1S/C6H10ClN.ClH/c7-5-1-6(2-5)3-8-4-6;/h5,8H,1-4H2;1H
InChIKeyINHUIRKWCSKVCF-UHFFFAOYSA-N
XLogP1.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.07
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-azaspiro[3.3]heptan-6-yl(tert-butyl)carbamic acid;hydrochloride
CID 176884984
3-azatricyclo[3.1.1.11,5]octane
CID 105426981
6-chloro-2-methyl-2-azaspiro[3.3]heptane
CID 118974347
tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate;hydrochloride
CID 86767491
8-azadispiro[3.1.36.14]decan-2-ol
CID 155970948
2,6-diazaspiro[3.4]octane-7-carboxylic acid
CID 165458055
ethane;6-ethoxy-2-azaspiro[3.3]heptane
CID 170737877
(6S)-2-azaspiro[3.4]octan-6-ol
CID 139512548
2-azaspiro[3.3]heptane
CID 20521856
N-(2-azaspiro[3.3]heptan-6-ylmethyl)prop-2-enamide
CID 176702448
2-cyclobutyl-2,6-diazaspiro[3.3]heptane;dihydrochloride
CID 167729280
8-hydroxy-6-azaspiro[3.5]nonan-2-one;hydrochloride
CID 170901669

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-azaspiro[3.3]heptane;hydrochloride?
The IUPAC name of 6-chloro-2-azaspiro[3.3]heptane;hydrochloride (CID 146050239) is 6-chloro-2-azaspiro[3.3]heptane;hydrochloride.
What is the SMILES notation for 6-chloro-2-azaspiro[3.3]heptane;hydrochloride?
The canonical SMILES for 6-chloro-2-azaspiro[3.3]heptane;hydrochloride is Cl.ClC1CC2(CNC2)C1.
What is the InChIKey of 6-chloro-2-azaspiro[3.3]heptane;hydrochloride?
The InChIKey is INHUIRKWCSKVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN.ClH/c7-5-1-6(2-5)3-8-4-6;/h5,8H,1-4H2;1H.
What are the key properties of 6-chloro-2-azaspiro[3.3]heptane;hydrochloride?
6-chloro-2-azaspiro[3.3]heptane;hydrochloride has a molecular weight of 168.07 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-azaspiro[3.3]heptane;hydrochloride is sourced from PubChem (CID 146050239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).