1-N,1-N-diethyl-2-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine

C17H34N2O — CID 102897158

IUPAC1-N,1-N-diethyl-2-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine
SMILESCCN(CC)CC(C)NCC1CCC2(CCCCC2)O1
InChIInChI=1S/C17H34N2O/c1-4-19(5-2)14-15(3)18-13-16-9-12-17(20-16)10-7-6-8-11-17/h15-16,18H,4-14H2,1-3H3
InChIKeyVJZQBZWLJWKMKR-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.19
Rot. Bonds7

About 1-N,1-N-diethyl-2-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine

1-N,1-N-diethyl-2-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine (PubChem CID 102897158) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-N,1-N-diethyl-2-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-2-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine
PubChem CID102897158
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name1-N,1-N-diethyl-2-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine
SMILESCCN(CC)CC(C)NCC1CCC2(CCCCC2)O1
InChIInChI=1S/C17H34N2O/c1-4-19(5-2)14-15(3)18-13-16-9-12-17(20-16)10-7-6-8-11-17/h15-16,18H,4-14H2,1-3H3
InChIKeyVJZQBZWLJWKMKR-UHFFFAOYSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N,1-N-diethyl-2-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine with MolForge

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Related Compounds

1-bromo-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine
CID 107859550
4-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-2-amine
CID 102896817
1-cyclopropyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine
CID 102897316
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pent-4-en-2-amine
CID 102897813
(1S)-1-cyclohexyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897605
1-bromo-3-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-2-amine
CID 107859043
1-chloro-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
CID 102900844
1-chloro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-2-amine
CID 102900785
1,1-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)hydrazine
CID 102897694
2-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102900792
N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896520
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(oxolan-2-yl)ethanamine
CID 102896845

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-2-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of 1-N,1-N-diethyl-2-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine (CID 102897158) is 1-N,1-N-diethyl-2-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-2-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-diethyl-2-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine is CCN(CC)CC(C)NCC1CCC2(CCCCC2)O1.
What is the InChIKey of 1-N,1-N-diethyl-2-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine?
The InChIKey is VJZQBZWLJWKMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-19(5-2)14-15(3)18-13-16-9-12-17(20-16)10-7-6-8-11-17/h15-16,18H,4-14H2,1-3H3.
What are the key properties of 1-N,1-N-diethyl-2-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine?
1-N,1-N-diethyl-2-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine has a molecular weight of 282.47 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-2-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 102897158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).