4-N,4-N-dimethyl-2-(6-oxaspiro[4.5]decan-9-yloxy)benzene-1,4-diamine

C17H26N2O2 — CID 79898940

IUPAC4-N,4-N-dimethyl-2-(6-oxaspiro[4.5]decan-9-yloxy)benzene-1,4-diamine
SMILESCN(C)c1ccc(N)c(OC2CCOC3(CCCC3)C2)c1
InChIInChI=1S/C17H26N2O2/c1-19(2)13-5-6-15(18)16(11-13)21-14-7-10-20-17(12-14)8-3-4-9-17/h5-6,11,14H,3-4,7-10,12,18H2,1-2H3
InChIKeyNYEVVOBTXYEHFE-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.21
Rot. Bonds3

About 4-N,4-N-dimethyl-2-(6-oxaspiro[4.5]decan-9-yloxy)benzene-1,4-diamine

4-N,4-N-dimethyl-2-(6-oxaspiro[4.5]decan-9-yloxy)benzene-1,4-diamine (PubChem CID 79898940) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-(6-oxaspiro[4.5]decan-9-yloxy)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-(6-oxaspiro[4.5]decan-9-yloxy)benzene-1,4-diamine
PubChem CID79898940
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-N,4-N-dimethyl-2-(6-oxaspiro[4.5]decan-9-yloxy)benzene-1,4-diamine
SMILESCN(C)c1ccc(N)c(OC2CCOC3(CCCC3)C2)c1
InChIInChI=1S/C17H26N2O2/c1-19(2)13-5-6-15(18)16(11-13)21-14-7-10-20-17(12-14)8-3-4-9-17/h5-6,11,14H,3-4,7-10,12,18H2,1-2H3
InChIKeyNYEVVOBTXYEHFE-UHFFFAOYSA-N
XLogP3.21
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-(6-oxaspiro[4.5]decan-9-yloxy)aniline
CID 102702521
5-methoxy-2-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79898658
2,5-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
CID 79904915
2-cyclohexyloxy-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589686
2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-4-fluoroaniline
CID 79904764
2,5-difluoro-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline
CID 79905124
9-(5-bromo-2-methylphenoxy)-6-oxaspiro[4.5]decane
CID 107284316
2-methyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
CID 79905115
3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
CID 79904771
9-[2-(chloromethyl)-4-methoxyphenoxy]-6-oxaspiro[4.5]decane
CID 79899956
4-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904831
4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-2,5-dimethylaniline
CID 79898685

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-(6-oxaspiro[4.5]decan-9-yloxy)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-2-(6-oxaspiro[4.5]decan-9-yloxy)benzene-1,4-diamine (CID 79898940) is 4-N,4-N-dimethyl-2-(6-oxaspiro[4.5]decan-9-yloxy)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-2-(6-oxaspiro[4.5]decan-9-yloxy)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-2-(6-oxaspiro[4.5]decan-9-yloxy)benzene-1,4-diamine is CN(C)c1ccc(N)c(OC2CCOC3(CCCC3)C2)c1.
What is the InChIKey of 4-N,4-N-dimethyl-2-(6-oxaspiro[4.5]decan-9-yloxy)benzene-1,4-diamine?
The InChIKey is NYEVVOBTXYEHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19(2)13-5-6-15(18)16(11-13)21-14-7-10-20-17(12-14)8-3-4-9-17/h5-6,11,14H,3-4,7-10,12,18H2,1-2H3.
What are the key properties of 4-N,4-N-dimethyl-2-(6-oxaspiro[4.5]decan-9-yloxy)benzene-1,4-diamine?
4-N,4-N-dimethyl-2-(6-oxaspiro[4.5]decan-9-yloxy)benzene-1,4-diamine has a molecular weight of 290.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-2-(6-oxaspiro[4.5]decan-9-yloxy)benzene-1,4-diamine is sourced from PubChem (CID 79898940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).