2-N-methyl-2-N-(6-oxaspiro[4.5]decan-9-yl)propane-1,2-diamine

C13H26N2O — CID 104556896

IUPAC2-N-methyl-2-N-(6-oxaspiro[4.5]decan-9-yl)propane-1,2-diamine
SMILESCC(CN)N(C)C1CCOC2(CCCC2)C1
InChIInChI=1S/C13H26N2O/c1-11(10-14)15(2)12-5-8-16-13(9-12)6-3-4-7-13/h11-12H,3-10,14H2,1-2H3
InChIKeyJBLSRGMRRCGMRV-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.76
Rot. Bonds3

About 2-N-methyl-2-N-(6-oxaspiro[4.5]decan-9-yl)propane-1,2-diamine

2-N-methyl-2-N-(6-oxaspiro[4.5]decan-9-yl)propane-1,2-diamine (PubChem CID 104556896) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-N-methyl-2-N-(6-oxaspiro[4.5]decan-9-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(6-oxaspiro[4.5]decan-9-yl)propane-1,2-diamine
PubChem CID104556896
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-N-methyl-2-N-(6-oxaspiro[4.5]decan-9-yl)propane-1,2-diamine
SMILESCC(CN)N(C)C1CCOC2(CCCC2)C1
InChIInChI=1S/C13H26N2O/c1-11(10-14)15(2)12-5-8-16-13(9-12)6-3-4-7-13/h11-12H,3-10,14H2,1-2H3
InChIKeyJBLSRGMRRCGMRV-UHFFFAOYSA-N
XLogP1.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-N-methylbutane-1,3-diamine
CID 79897986
N',2-dimethyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine
CID 79897985
N'-ethyl-2-methyl-N'-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 79897597
N'-ethyl-N'-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine
CID 79898283
N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 79905220
2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]butanoic acid
CID 79893899
3-N-methyl-3-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,3-diamine
CID 79897829
N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propylpropane-1,3-diamine
CID 79904792
1-cyclopropyl-N-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethane-1,2-diamine
CID 116652448
1-N,4-dimethyl-1-N-(1-oxaspiro[5.5]undecan-4-yl)pentane-1,3-diamine
CID 115318032
2-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 81020446
N'-butyl-N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
CID 79920705

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(6-oxaspiro[4.5]decan-9-yl)propane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(6-oxaspiro[4.5]decan-9-yl)propane-1,2-diamine (CID 104556896) is 2-N-methyl-2-N-(6-oxaspiro[4.5]decan-9-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(6-oxaspiro[4.5]decan-9-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(6-oxaspiro[4.5]decan-9-yl)propane-1,2-diamine is CC(CN)N(C)C1CCOC2(CCCC2)C1.
What is the InChIKey of 2-N-methyl-2-N-(6-oxaspiro[4.5]decan-9-yl)propane-1,2-diamine?
The InChIKey is JBLSRGMRRCGMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(10-14)15(2)12-5-8-16-13(9-12)6-3-4-7-13/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 2-N-methyl-2-N-(6-oxaspiro[4.5]decan-9-yl)propane-1,2-diamine?
2-N-methyl-2-N-(6-oxaspiro[4.5]decan-9-yl)propane-1,2-diamine has a molecular weight of 226.36 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(6-oxaspiro[4.5]decan-9-yl)propane-1,2-diamine is sourced from PubChem (CID 104556896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).