4-N,4-N-dimethyl-1-N-(6-oxaspiro[4.5]decan-9-yl)benzene-1,4-diamine

C17H26N2O — CID 79895626

IUPAC4-N,4-N-dimethyl-1-N-(6-oxaspiro[4.5]decan-9-yl)benzene-1,4-diamine
SMILESCN(C)c1ccc(NC2CCOC3(CCCC3)C2)cc1
InChIInChI=1S/C17H26N2O/c1-19(2)16-7-5-14(6-8-16)18-15-9-12-20-17(13-15)10-3-4-11-17/h5-8,15,18H,3-4,9-13H2,1-2H3
InChIKeyFGKDFVQWBMMLOY-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.66
Rot. Bonds3

About 4-N,4-N-dimethyl-1-N-(6-oxaspiro[4.5]decan-9-yl)benzene-1,4-diamine

4-N,4-N-dimethyl-1-N-(6-oxaspiro[4.5]decan-9-yl)benzene-1,4-diamine (PubChem CID 79895626) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-(6-oxaspiro[4.5]decan-9-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-(6-oxaspiro[4.5]decan-9-yl)benzene-1,4-diamine
PubChem CID79895626
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-N,4-N-dimethyl-1-N-(6-oxaspiro[4.5]decan-9-yl)benzene-1,4-diamine
SMILESCN(C)c1ccc(NC2CCOC3(CCCC3)C2)cc1
InChIInChI=1S/C17H26N2O/c1-19(2)16-7-5-14(6-8-16)18-15-9-12-20-17(13-15)10-3-4-11-17/h5-8,15,18H,3-4,9-13H2,1-2H3
InChIKeyFGKDFVQWBMMLOY-UHFFFAOYSA-N
XLogP3.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-N,4-N-dimethyl-1-N-(6-oxaspiro[4.5]decan-9-yl)benzene-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

Related Compounds

4-N,4-N-dimethyl-1-N-(5-oxaspiro[3.5]nonan-8-yl)benzene-1,4-diamine
CID 79895553
N-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898330
N-(4-propylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897977
N-(4-methylsulfonylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898235
N-(3-bromo-4-methylphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79903117
N-(4-nitrophenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 133377935
4-N,4-N-dimethyl-1-N-(oxan-4-yl)benzene-1,4-diamine
CID 43616833
2-N,2-N-dimethyl-1-N-(5-oxaspiro[3.5]nonan-8-yl)benzene-1,2-diamine
CID 106759893
N-thiophen-3-yl-1-oxaspiro[5.5]undecan-4-amine
CID 79903550
N-(3-chloro-4-methoxyphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79898004
4-N,4-N-dimethyl-1-N-(oxepan-4-yl)benzene-1,4-diamine
CID 65081872
N-(3-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897456

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-(6-oxaspiro[4.5]decan-9-yl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-(6-oxaspiro[4.5]decan-9-yl)benzene-1,4-diamine (CID 79895626) is 4-N,4-N-dimethyl-1-N-(6-oxaspiro[4.5]decan-9-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-(6-oxaspiro[4.5]decan-9-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-(6-oxaspiro[4.5]decan-9-yl)benzene-1,4-diamine is CN(C)c1ccc(NC2CCOC3(CCCC3)C2)cc1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-(6-oxaspiro[4.5]decan-9-yl)benzene-1,4-diamine?
The InChIKey is FGKDFVQWBMMLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-19(2)16-7-5-14(6-8-16)18-15-9-12-20-17(13-15)10-3-4-11-17/h5-8,15,18H,3-4,9-13H2,1-2H3.
What are the key properties of 4-N,4-N-dimethyl-1-N-(6-oxaspiro[4.5]decan-9-yl)benzene-1,4-diamine?
4-N,4-N-dimethyl-1-N-(6-oxaspiro[4.5]decan-9-yl)benzene-1,4-diamine has a molecular weight of 274.41 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-(6-oxaspiro[4.5]decan-9-yl)benzene-1,4-diamine is sourced from PubChem (CID 79895626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).