N',N'-dimethyl-N-(5-oxaspiro[3.5]nonan-8-yl)butane-1,4-diamine

C14H28N2O — CID 79895249

IUPACN',N'-dimethyl-N-(5-oxaspiro[3.5]nonan-8-yl)butane-1,4-diamine
SMILESCN(C)CCCCNC1CCOC2(CCC2)C1
InChIInChI=1S/C14H28N2O/c1-16(2)10-4-3-9-15-13-6-11-17-14(12-13)7-5-8-14/h13,15H,3-12H2,1-2H3
InChIKeyWYYAVBFSJTUIDW-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds6

About N',N'-dimethyl-N-(5-oxaspiro[3.5]nonan-8-yl)butane-1,4-diamine

N',N'-dimethyl-N-(5-oxaspiro[3.5]nonan-8-yl)butane-1,4-diamine (PubChem CID 79895249) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N',N'-dimethyl-N-(5-oxaspiro[3.5]nonan-8-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(5-oxaspiro[3.5]nonan-8-yl)butane-1,4-diamine
PubChem CID79895249
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN',N'-dimethyl-N-(5-oxaspiro[3.5]nonan-8-yl)butane-1,4-diamine
SMILESCN(C)CCCCNC1CCOC2(CCC2)C1
InChIInChI=1S/C14H28N2O/c1-16(2)10-4-3-9-15-13-6-11-17-14(12-13)7-5-8-14/h13,15H,3-12H2,1-2H3
InChIKeyWYYAVBFSJTUIDW-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N',N'-dimethyl-N-(5-oxaspiro[3.5]nonan-8-yl)butane-1,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(5-oxaspiro[3.5]nonan-8-yl)butane-1,4-diamine?
The IUPAC name of N',N'-dimethyl-N-(5-oxaspiro[3.5]nonan-8-yl)butane-1,4-diamine (CID 79895249) is N',N'-dimethyl-N-(5-oxaspiro[3.5]nonan-8-yl)butane-1,4-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(5-oxaspiro[3.5]nonan-8-yl)butane-1,4-diamine?
The canonical SMILES for N',N'-dimethyl-N-(5-oxaspiro[3.5]nonan-8-yl)butane-1,4-diamine is CN(C)CCCCNC1CCOC2(CCC2)C1.
What is the InChIKey of N',N'-dimethyl-N-(5-oxaspiro[3.5]nonan-8-yl)butane-1,4-diamine?
The InChIKey is WYYAVBFSJTUIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-16(2)10-4-3-9-15-13-6-11-17-14(12-13)7-5-8-14/h13,15H,3-12H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-(5-oxaspiro[3.5]nonan-8-yl)butane-1,4-diamine?
N',N'-dimethyl-N-(5-oxaspiro[3.5]nonan-8-yl)butane-1,4-diamine has a molecular weight of 240.39 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(5-oxaspiro[3.5]nonan-8-yl)butane-1,4-diamine is sourced from PubChem (CID 79895249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).