2-[(2-ethyloxan-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride

C15H29ClN2O — CID 120907639

IUPAC2-[(2-ethyloxan-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
SMILESCCC1CC(CN2CCC3(CCNC3)C2)CCO1.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-2-14-9-13(3-8-18-14)10-17-7-5-15(12-17)4-6-16-11-15;/h13-14,16H,2-12H2,1H3;1H
InChIKeyQEBMKABWBPQWTI-UHFFFAOYSA-N
MW288.86 g/mol
LogP2.30
Rot. Bonds3

About 2-[(2-ethyloxan-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride

2-[(2-ethyloxan-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride (PubChem CID 120907639) has the molecular formula C15H29ClN2O and a molecular weight of 288.86 g/mol. Its IUPAC name is 2-[(2-ethyloxan-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride.

Molecular Properties

Compound Name2-[(2-ethyloxan-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
PubChem CID120907639
Molecular FormulaC15H29ClN2O
Molecular Weight288.86 g/mol
Exact Mass288.20
IUPAC Name2-[(2-ethyloxan-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
SMILESCCC1CC(CN2CCC3(CCNC3)C2)CCO1.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-2-14-9-13(3-8-18-14)10-17-7-5-15(12-17)4-6-16-11-15;/h13-14,16H,2-12H2,1H3;1H
InChIKeyQEBMKABWBPQWTI-UHFFFAOYSA-N
XLogP2.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.86
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2,7-diazaspiro[4.4]nonane chloride
CID 53314750
2-(oxolan-3-ylmethyl)-2,8-diazaspiro[5.5]undecane
CID 102849336
2-(cyclobutylmethyl)-2,8-diazaspiro[5.5]undecane
CID 102849456
2-[(E)-but-2-enyl]-2,7-diazaspiro[4.4]nonane
CID 130525863
2-(2,2-diethylbutyl)-2,7-diazaspiro[4.4]nonane
CID 120907644
8-ethyl-2,8-diazaspiro[4.5]decane
CID 46318290
ethane;6-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.4]octane
CID 171641866
6,6-dimethyl-1-(oxan-4-ylmethyl)-1,4-diazepane
CID 115100731
1-(2,7-diazaspiro[4.4]nonan-2-yl)butan-2-ol
CID 130525842
2-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-2,8-diazaspiro[4.5]decane;dihydrochloride
CID 154900197
2-(2,7-diazaspiro[4.4]nonan-2-yl)ethanamine
CID 128922534
2-(2-methylsulfanylethyl)-2,7-diazaspiro[4.4]nonane
CID 130525850

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyloxan-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The IUPAC name of 2-[(2-ethyloxan-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride (CID 120907639) is 2-[(2-ethyloxan-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride.
What is the SMILES notation for 2-[(2-ethyloxan-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The canonical SMILES for 2-[(2-ethyloxan-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride is CCC1CC(CN2CCC3(CCNC3)C2)CCO1.Cl.
What is the InChIKey of 2-[(2-ethyloxan-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The InChIKey is QEBMKABWBPQWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O.ClH/c1-2-14-9-13(3-8-18-14)10-17-7-5-15(12-17)4-6-16-11-15;/h13-14,16H,2-12H2,1H3;1H.
What are the key properties of 2-[(2-ethyloxan-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
2-[(2-ethyloxan-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride has a molecular weight of 288.86 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyloxan-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride is sourced from PubChem (CID 120907639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).