3-[2-(oxolan-3-yl)ethyl]-3,9-diazabicyclo[3.3.1]nonane;hydrochloride

C13H25ClN2O — CID 120845703

IUPAC3-[2-(oxolan-3-yl)ethyl]-3,9-diazabicyclo[3.3.1]nonane;hydrochloride
SMILESC1CC2CN(CCC3CCOC3)CC(C1)N2.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-2-12-8-15(9-13(3-1)14-12)6-4-11-5-7-16-10-11;/h11-14H,1-10H2;1H
InChIKeyBMKSKFUOFSBXCP-UHFFFAOYSA-N
MW260.81 g/mol
LogP1.66
Rot. Bonds3

About 3-[2-(oxolan-3-yl)ethyl]-3,9-diazabicyclo[3.3.1]nonane;hydrochloride

3-[2-(oxolan-3-yl)ethyl]-3,9-diazabicyclo[3.3.1]nonane;hydrochloride (PubChem CID 120845703) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is 3-[2-(oxolan-3-yl)ethyl]-3,9-diazabicyclo[3.3.1]nonane;hydrochloride.

Molecular Properties

Compound Name3-[2-(oxolan-3-yl)ethyl]-3,9-diazabicyclo[3.3.1]nonane;hydrochloride
PubChem CID120845703
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC Name3-[2-(oxolan-3-yl)ethyl]-3,9-diazabicyclo[3.3.1]nonane;hydrochloride
SMILESC1CC2CN(CCC3CCOC3)CC(C1)N2.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-2-12-8-15(9-13(3-1)14-12)6-4-11-5-7-16-10-11;/h11-14H,1-10H2;1H
InChIKeyBMKSKFUOFSBXCP-UHFFFAOYSA-N
XLogP1.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(oxolan-3-yl)ethyl]-3,9-diazabicyclo[3.3.1]nonane
CID 120845704
[1-[2-(oxolan-3-yl)ethyl]pyrrolidin-3-yl]methanol
CID 102670847
1-[1-[2-(oxolan-3-yl)ethyl]pyrrolidin-3-yl]ethanamine;hydrochloride
CID 120843380
1-[2-(oxolan-3-yl)ethyl]-3-propan-2-yl-1,4-diazepane
CID 114129866
(2R,6R)-2,6-dimethyl-4-[2-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]ethyl]morpholine
CID 97092866
3-tert-butyl-1-[2-(oxolan-3-yl)ethyl]piperazine
CID 114129863
cyclobutyl-[4-[2-(oxolan-3-yl)ethyl]piperazin-1-yl]methanone
CID 131899076
[4-[2-(oxolan-3-yl)ethyl]morpholin-2-yl]methanamine
CID 120844455
9-[2-(oxolan-3-yl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 130807357
[(3R,4R)-1-[2-(oxolan-3-yl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120846682
N-(cyclopropylmethyl)-1-[2-(oxolan-3-yl)ethyl]piperidin-4-amine
CID 120841561
2-(oxolan-3-yl)ethanamine
CID 22355254

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxolan-3-yl)ethyl]-3,9-diazabicyclo[3.3.1]nonane;hydrochloride?
The IUPAC name of 3-[2-(oxolan-3-yl)ethyl]-3,9-diazabicyclo[3.3.1]nonane;hydrochloride (CID 120845703) is 3-[2-(oxolan-3-yl)ethyl]-3,9-diazabicyclo[3.3.1]nonane;hydrochloride.
What is the SMILES notation for 3-[2-(oxolan-3-yl)ethyl]-3,9-diazabicyclo[3.3.1]nonane;hydrochloride?
The canonical SMILES for 3-[2-(oxolan-3-yl)ethyl]-3,9-diazabicyclo[3.3.1]nonane;hydrochloride is C1CC2CN(CCC3CCOC3)CC(C1)N2.Cl.
What is the InChIKey of 3-[2-(oxolan-3-yl)ethyl]-3,9-diazabicyclo[3.3.1]nonane;hydrochloride?
The InChIKey is BMKSKFUOFSBXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.ClH/c1-2-12-8-15(9-13(3-1)14-12)6-4-11-5-7-16-10-11;/h11-14H,1-10H2;1H.
What are the key properties of 3-[2-(oxolan-3-yl)ethyl]-3,9-diazabicyclo[3.3.1]nonane;hydrochloride?
3-[2-(oxolan-3-yl)ethyl]-3,9-diazabicyclo[3.3.1]nonane;hydrochloride has a molecular weight of 260.81 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxolan-3-yl)ethyl]-3,9-diazabicyclo[3.3.1]nonane;hydrochloride is sourced from PubChem (CID 120845703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).