N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propan-2-ylpropane-1,3-diamine

C15H30N2O — CID 79905220

IUPACN'-(6-oxaspiro[4.5]decan-9-yl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(CCCN)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H30N2O/c1-13(2)17(10-5-9-16)14-6-11-18-15(12-14)7-3-4-8-15/h13-14H,3-12,16H2,1-2H3
InChIKeyIFXJCIRBAATUSO-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.54
Rot. Bonds5

About N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propan-2-ylpropane-1,3-diamine

N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 79905220) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(6-oxaspiro[4.5]decan-9-yl)-N'-propan-2-ylpropane-1,3-diamine
PubChem CID79905220
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN'-(6-oxaspiro[4.5]decan-9-yl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(CCCN)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H30N2O/c1-13(2)17(10-5-9-16)14-6-11-18-15(12-14)7-3-4-8-15/h13-14H,3-12,16H2,1-2H3
InChIKeyIFXJCIRBAATUSO-UHFFFAOYSA-N
XLogP2.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]propanenitrile
CID 79903868
N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propylpropane-1,3-diamine
CID 79904792
N'-cyclopentyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine
CID 79901023
2-N-methyl-2-N-(6-oxaspiro[4.5]decan-9-yl)propane-1,2-diamine
CID 104556896
N'-ethyl-N'-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine
CID 79898283
N'-cyclopropyl-N'-propan-2-ylpropane-1,3-diamine
CID 43137500
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',2-dimethyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine
CID 79897985
2-[1-oxaspiro[5.5]undecan-4-yl(pentan-3-yl)amino]ethanol
CID 79919415
N-(piperidin-2-ylmethyl)-N-propan-2-yl-5-oxaspiro[3.5]nonan-8-amine
CID 106632077
2-[butan-2-yl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894511

Frequently Asked Questions

What is the IUPAC name of N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propan-2-ylpropane-1,3-diamine (CID 79905220) is N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propan-2-ylpropane-1,3-diamine is CC(C)N(CCCN)C1CCOC2(CCCC2)C1.
What is the InChIKey of N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is IFXJCIRBAATUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13(2)17(10-5-9-16)14-6-11-18-15(12-14)7-3-4-8-15/h13-14H,3-12,16H2,1-2H3.
What are the key properties of N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propan-2-ylpropane-1,3-diamine?
N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 254.42 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 79905220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).