N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine

C11H22N2O — CID 102897171

IUPACN'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine
SMILESNCCNCC1CCC2(CCCC2)O1
InChIInChI=1S/C11H22N2O/c12-7-8-13-9-10-3-6-11(14-10)4-1-2-5-11/h10,13H,1-9,12H2
InChIKeyAIAUPDQMPNZOAG-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.03
Rot. Bonds4

About N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine

N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 102897171) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine
PubChem CID102897171
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine
SMILESNCCNCC1CCC2(CCCC2)O1
InChIInChI=1S/C11H22N2O/c12-7-8-13-9-10-3-6-11(14-10)4-1-2-5-11/h10,13H,1-9,12H2
InChIKeyAIAUPDQMPNZOAG-UHFFFAOYSA-N
XLogP1.03
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
CID 102896610
2-bromo-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102900965
2-cyclobutyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897828
2-cyclopropyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897426
3-methylsulfanyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102897314
1-(1-oxaspiro[4.4]nonan-2-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine
CID 102897479
3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanoic acid
CID 102899126
2-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896547
N'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine
CID 116521389
2-cyclopentyloxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897294
2-[3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propoxy]ethanol
CID 106309924
2,2-dimethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
CID 102896955

Frequently Asked Questions

What is the IUPAC name of N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine (CID 102897171) is N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine is NCCNCC1CCC2(CCCC2)O1.
What is the InChIKey of N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is AIAUPDQMPNZOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c12-7-8-13-9-10-3-6-11(14-10)4-1-2-5-11/h10,13H,1-9,12H2.
What are the key properties of N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine?
N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 198.31 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 102897171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).