3-azabicyclo[4.3.1]decane;hydrochloride

C9H18ClN — CID 138040352

IUPAC3-azabicyclo[4.3.1]decane;hydrochloride
SMILESC1CC2CCNCC(C1)C2.Cl
InChIInChI=1S/C9H17N.ClH/c1-2-8-4-5-10-7-9(3-1)6-8;/h8-10H,1-7H2;1H
InChIKeyREJJDCCQWGFRFC-UHFFFAOYSA-N
MW175.70 g/mol
LogP2.21
Rot. Bonds

About 3-azabicyclo[4.3.1]decane;hydrochloride

3-azabicyclo[4.3.1]decane;hydrochloride (PubChem CID 138040352) has the molecular formula C9H18ClN and a molecular weight of 175.70 g/mol. Its IUPAC name is 3-azabicyclo[4.3.1]decane;hydrochloride.

Molecular Properties

Compound Name3-azabicyclo[4.3.1]decane;hydrochloride
PubChem CID138040352
Molecular FormulaC9H18ClN
Molecular Weight175.70 g/mol
Exact Mass175.11
IUPAC Name3-azabicyclo[4.3.1]decane;hydrochloride
SMILESC1CC2CCNCC(C1)C2.Cl
InChIInChI=1S/C9H17N.ClH/c1-2-8-4-5-10-7-9(3-1)6-8;/h8-10H,1-7H2;1H
InChIKeyREJJDCCQWGFRFC-UHFFFAOYSA-N
XLogP2.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.70
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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bicyclo[3.3.2]decane;bicyclo[4.2.2]decane;bicyclo[4.3.1]decane;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[3.3.1]nonane;bicyclo[4.2.1]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[4.3.2]undecane
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Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[4.3.1]decane;hydrochloride?
The IUPAC name of 3-azabicyclo[4.3.1]decane;hydrochloride (CID 138040352) is 3-azabicyclo[4.3.1]decane;hydrochloride.
What is the SMILES notation for 3-azabicyclo[4.3.1]decane;hydrochloride?
The canonical SMILES for 3-azabicyclo[4.3.1]decane;hydrochloride is C1CC2CCNCC(C1)C2.Cl.
What is the InChIKey of 3-azabicyclo[4.3.1]decane;hydrochloride?
The InChIKey is REJJDCCQWGFRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.ClH/c1-2-8-4-5-10-7-9(3-1)6-8;/h8-10H,1-7H2;1H.
What are the key properties of 3-azabicyclo[4.3.1]decane;hydrochloride?
3-azabicyclo[4.3.1]decane;hydrochloride has a molecular weight of 175.70 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[4.3.1]decane;hydrochloride is sourced from PubChem (CID 138040352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).