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

C16H24N2O — CID 79895553

IUPAC4-N,4-N-dimethyl-1-N-(5-oxaspiro[3.5]nonan-8-yl)benzene-1,4-diamine
SMILESCN(C)c1ccc(NC2CCOC3(CCC3)C2)cc1
InChIInChI=1S/C16H24N2O/c1-18(2)15-6-4-13(5-7-15)17-14-8-11-19-16(12-14)9-3-10-16/h4-7,14,17H,3,8-12H2,1-2H3
InChIKeyAMZFUKNQVCLOHP-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.27
Rot. Bonds3

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

4-N,4-N-dimethyl-1-N-(5-oxaspiro[3.5]nonan-8-yl)benzene-1,4-diamine (PubChem CID 79895553) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-(5-oxaspiro[3.5]nonan-8-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-(5-oxaspiro[3.5]nonan-8-yl)benzene-1,4-diamine
PubChem CID79895553
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-N,4-N-dimethyl-1-N-(5-oxaspiro[3.5]nonan-8-yl)benzene-1,4-diamine
SMILESCN(C)c1ccc(NC2CCOC3(CCC3)C2)cc1
InChIInChI=1S/C16H24N2O/c1-18(2)15-6-4-13(5-7-15)17-14-8-11-19-16(12-14)9-3-10-16/h4-7,14,17H,3,8-12H2,1-2H3
InChIKeyAMZFUKNQVCLOHP-UHFFFAOYSA-N
XLogP3.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N,4-N-dimethyl-1-N-(6-oxaspiro[4.5]decan-9-yl)benzene-1,4-diamine
CID 79895626
N-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898330
N-(4-methylsulfonylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898235
N-(4-propylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897977
2-N,2-N-dimethyl-1-N-(5-oxaspiro[3.5]nonan-8-yl)benzene-1,2-diamine
CID 106759893
N-(3-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897456
4-N,4-N-dimethyl-1-N-(oxan-4-yl)benzene-1,4-diamine
CID 43616833
N-(3,5-dimethoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898455
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-(oxepan-4-yl)benzene-1,4-diamine
CID 65081872
N-(3,4,5-trifluorophenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903806

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-(5-oxaspiro[3.5]nonan-8-yl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-(5-oxaspiro[3.5]nonan-8-yl)benzene-1,4-diamine (CID 79895553) is 4-N,4-N-dimethyl-1-N-(5-oxaspiro[3.5]nonan-8-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-(5-oxaspiro[3.5]nonan-8-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-(5-oxaspiro[3.5]nonan-8-yl)benzene-1,4-diamine is CN(C)c1ccc(NC2CCOC3(CCC3)C2)cc1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-(5-oxaspiro[3.5]nonan-8-yl)benzene-1,4-diamine?
The InChIKey is AMZFUKNQVCLOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-18(2)15-6-4-13(5-7-15)17-14-8-11-19-16(12-14)9-3-10-16/h4-7,14,17H,3,8-12H2,1-2H3.
What are the key properties of 4-N,4-N-dimethyl-1-N-(5-oxaspiro[3.5]nonan-8-yl)benzene-1,4-diamine?
4-N,4-N-dimethyl-1-N-(5-oxaspiro[3.5]nonan-8-yl)benzene-1,4-diamine has a molecular weight of 260.38 g/mol, XLogP of 3.27, 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-(5-oxaspiro[3.5]nonan-8-yl)benzene-1,4-diamine is sourced from PubChem (CID 79895553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).