N'-ethyl-N'-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine

C13H26N2O — CID 79898283

IUPACN'-ethyl-N'-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine
SMILESCCN(CCN)C1CCOC2(CCCC2)C1
InChIInChI=1S/C13H26N2O/c1-2-15(9-8-14)12-5-10-16-13(11-12)6-3-4-7-13/h12H,2-11,14H2,1H3
InChIKeyLVWATDGPDNZEGB-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.76
Rot. Bonds4

About N'-ethyl-N'-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine

N'-ethyl-N'-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine (PubChem CID 79898283) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N'-ethyl-N'-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine
PubChem CID79898283
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN'-ethyl-N'-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine
SMILESCCN(CCN)C1CCOC2(CCCC2)C1
InChIInChI=1S/C13H26N2O/c1-2-15(9-8-14)12-5-10-16-13(11-12)6-3-4-7-13/h12H,2-11,14H2,1H3
InChIKeyLVWATDGPDNZEGB-UHFFFAOYSA-N
XLogP1.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

N'-butyl-N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
CID 79920705
N'-ethyl-2-methyl-N'-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 79897597
N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propylpropane-1,3-diamine
CID 79904792
2-N-methyl-2-N-(6-oxaspiro[4.5]decan-9-yl)propane-1,2-diamine
CID 104556896
2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]ethanol
CID 79919654
2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]acetonitrile
CID 79903017
2-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide
CID 79906347
2-[2-hydroxyethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol
CID 79920437
N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 79905220
2,2-dimethyl-N'-(5-oxaspiro[3.5]nonan-8-yl)-N'-propylpropane-1,3-diamine
CID 79898830
2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]ethanol
CID 79919770
(5R,9S)-N,N-diethyl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 97474345

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine (CID 79898283) is N'-ethyl-N'-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine is CCN(CCN)C1CCOC2(CCCC2)C1.
What is the InChIKey of N'-ethyl-N'-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine?
The InChIKey is LVWATDGPDNZEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-15(9-8-14)12-5-10-16-13(11-12)6-3-4-7-13/h12H,2-11,14H2,1H3.
What are the key properties of N'-ethyl-N'-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine?
N'-ethyl-N'-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine has a molecular weight of 226.36 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine is sourced from PubChem (CID 79898283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).