N,N'-dimethyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine

C13H26N2O — CID 102898474

IUPACN,N'-dimethyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine
SMILESCNCCN(C)CC1CCC2(CCCC2)O1
InChIInChI=1S/C13H26N2O/c1-14-9-10-15(2)11-12-5-8-13(16-12)6-3-4-7-13/h12,14H,3-11H2,1-2H3
InChIKeySETHEBVVSOKAAT-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds5

About N,N'-dimethyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine

N,N'-dimethyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 102898474) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine
PubChem CID102898474
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN,N'-dimethyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine
SMILESCNCCN(C)CC1CCC2(CCCC2)O1
InChIInChI=1S/C13H26N2O/c1-14-9-10-15(2)11-12-5-8-13(16-12)6-3-4-7-13/h12,14H,3-11H2,1-2H3
InChIKeySETHEBVVSOKAAT-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102900869
N-methyl-4-(1-oxaspiro[4.4]nonan-2-yl)butan-1-amine
CID 102901285
N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896520
N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104856030
N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-piperidin-3-ylmethanamine
CID 106637126
1,1-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)hydrazine
CID 102897694
3-methoxy-1-N-methyl-1-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine
CID 102900998
N-cyclopropyl-N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 116522137
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896446
N,N'-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 61436191
N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopropanamine
CID 102900766
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpyrrolidin-3-amine
CID 102899394

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine (CID 102898474) is N,N'-dimethyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine is CNCCN(C)CC1CCC2(CCCC2)O1.
What is the InChIKey of N,N'-dimethyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is SETHEBVVSOKAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-14-9-10-15(2)11-12-5-8-13(16-12)6-3-4-7-13/h12,14H,3-11H2,1-2H3.
What are the key properties of N,N'-dimethyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine?
N,N'-dimethyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 102898474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).