N'-ethyl-2-methyl-N'-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine

C15H30N2O — CID 79897597

IUPACN'-ethyl-2-methyl-N'-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine
SMILESCCN(CC(C)CN)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H30N2O/c1-3-17(12-13(2)11-16)14-6-9-18-15(10-14)7-4-5-8-15/h13-14H,3-12,16H2,1-2H3
InChIKeyIETQGJIXRNUHQJ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.39
Rot. Bonds5

About N'-ethyl-2-methyl-N'-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine

N'-ethyl-2-methyl-N'-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine (PubChem CID 79897597) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N'-ethyl-2-methyl-N'-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-2-methyl-N'-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine
PubChem CID79897597
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN'-ethyl-2-methyl-N'-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine
SMILESCCN(CC(C)CN)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H30N2O/c1-3-17(12-13(2)11-16)14-6-9-18-15(10-14)7-4-5-8-15/h13-14H,3-12,16H2,1-2H3
InChIKeyIETQGJIXRNUHQJ-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N',2-dimethyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine
CID 79897985
N'-ethyl-N'-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine
CID 79898283
2-N-methyl-2-N-(6-oxaspiro[4.5]decan-9-yl)propane-1,2-diamine
CID 104556896
3-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-2-methylpropanimidamide
CID 79905622
N'-ethyl-2-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 63556391
N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propylpropane-1,3-diamine
CID 79904792
2-methyl-3-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 79924373
2-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide
CID 79906347
N'-butyl-N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
CID 79920705
N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 79905220
2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]ethanol
CID 79919654
(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-2-methyl-N'-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-2-methyl-N'-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine (CID 79897597) is N'-ethyl-2-methyl-N'-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-2-methyl-N'-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-2-methyl-N'-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine is CCN(CC(C)CN)C1CCOC2(CCCC2)C1.
What is the InChIKey of N'-ethyl-2-methyl-N'-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine?
The InChIKey is IETQGJIXRNUHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-17(12-13(2)11-16)14-6-9-18-15(10-14)7-4-5-8-15/h13-14H,3-12,16H2,1-2H3.
What are the key properties of N'-ethyl-2-methyl-N'-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine?
N'-ethyl-2-methyl-N'-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine has a molecular weight of 254.42 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2-methyl-N'-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine is sourced from PubChem (CID 79897597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).