1-N,2-N,2-N-triethyl-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propane-1,2-diamine

C18H36N2O — CID 79906946

IUPAC1-N,2-N,2-N-triethyl-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propane-1,2-diamine
SMILESCCNC(C1CCOC2(CCC2)C1)C(C)(C)N(CC)CC
InChIInChI=1S/C18H36N2O/c1-6-19-16(17(4,5)20(7-2)8-3)15-10-13-21-18(14-15)11-9-12-18/h15-16,19H,6-14H2,1-5H3
InChIKeyZPJNWPFVSUUSAW-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.43
Rot. Bonds7

About 1-N,2-N,2-N-triethyl-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propane-1,2-diamine

1-N,2-N,2-N-triethyl-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propane-1,2-diamine (PubChem CID 79906946) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-N,2-N,2-N-triethyl-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N,2-N-triethyl-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propane-1,2-diamine
PubChem CID79906946
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name1-N,2-N,2-N-triethyl-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propane-1,2-diamine
SMILESCCNC(C1CCOC2(CCC2)C1)C(C)(C)N(CC)CC
InChIInChI=1S/C18H36N2O/c1-6-19-16(17(4,5)20(7-2)8-3)15-10-13-21-18(14-15)11-9-12-18/h15-16,19H,6-14H2,1-5H3
InChIKeyZPJNWPFVSUUSAW-UHFFFAOYSA-N
XLogP3.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N,2-N,2-N-triethyl-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propane-1,2-diamine with MolForge

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Related Compounds

2-N,2-N-diethyl-1-N,2-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)propane-1,2-diamine
CID 79912220
N-ethyl-2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 105016756
N-ethyl-2,2,2-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 105016200
[2,2-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butyl]hydrazine
CID 105322295
1-hydrazinyl-N,N,2-trimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-2-amine
CID 105239137
N-ethyl-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 79914798
N-ethyl-4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 79952767
[2-ethoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propyl]hydrazine
CID 105274254
[2,2-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butyl]hydrazine
CID 105325523
2-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine
CID 116758128
N-[2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]propan-1-amine
CID 105016831
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine
CID 116726779

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,2-N-triethyl-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propane-1,2-diamine?
The IUPAC name of 1-N,2-N,2-N-triethyl-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propane-1,2-diamine (CID 79906946) is 1-N,2-N,2-N-triethyl-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N,2-N,2-N-triethyl-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propane-1,2-diamine?
The canonical SMILES for 1-N,2-N,2-N-triethyl-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propane-1,2-diamine is CCNC(C1CCOC2(CCC2)C1)C(C)(C)N(CC)CC.
What is the InChIKey of 1-N,2-N,2-N-triethyl-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propane-1,2-diamine?
The InChIKey is ZPJNWPFVSUUSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-6-19-16(17(4,5)20(7-2)8-3)15-10-13-21-18(14-15)11-9-12-18/h15-16,19H,6-14H2,1-5H3.
What are the key properties of 1-N,2-N,2-N-triethyl-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propane-1,2-diamine?
1-N,2-N,2-N-triethyl-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propane-1,2-diamine has a molecular weight of 296.50 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,2-N-triethyl-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propane-1,2-diamine is sourced from PubChem (CID 79906946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).