3-N-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methylbenzene-1,3-diamine

C15H22N2O2 — CID 138684089

IUPAC3-N-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methylbenzene-1,3-diamine
SMILESCc1cc(N)cc(NC2CCOC3(CCOC3)C2)c1
InChIInChI=1S/C15H22N2O2/c1-11-6-12(16)8-14(7-11)17-13-2-4-19-15(9-13)3-5-18-10-15/h6-8,13,17H,2-5,9-10,16H2,1H3
InChIKeyDHDMTZDYTIYLCA-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.33
Rot. Bonds2

About 3-N-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methylbenzene-1,3-diamine

3-N-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methylbenzene-1,3-diamine (PubChem CID 138684089) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-N-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methylbenzene-1,3-diamine
PubChem CID138684089
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-N-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methylbenzene-1,3-diamine
SMILESCc1cc(N)cc(NC2CCOC3(CCOC3)C2)c1
InChIInChI=1S/C15H22N2O2/c1-11-6-12(16)8-14(7-11)17-13-2-4-19-15(9-13)3-5-18-10-15/h6-8,13,17H,2-5,9-10,16H2,1H3
InChIKeyDHDMTZDYTIYLCA-UHFFFAOYSA-N
XLogP2.33
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79901878
N-(2-chloro-4-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898115
N-(2,4-dimethylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897837
N-(4-fluoro-3-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903956
N-(2,6-dibromo-4-methylphenyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79902165
N-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 79902131
(5S,9R)-N-[(2,4,6-trimethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 97255391
N-(2-bromo-4-methylphenyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79898446
3-N-cyclopropyl-5-methylbenzene-1,3-diamine
CID 112646925
N-(2,4-dimethylphenyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79898143
N-(4-chloro-3-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895150
N-(2-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897441

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methylbenzene-1,3-diamine (CID 138684089) is 3-N-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methylbenzene-1,3-diamine is Cc1cc(N)cc(NC2CCOC3(CCOC3)C2)c1.
What is the InChIKey of 3-N-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methylbenzene-1,3-diamine?
The InChIKey is DHDMTZDYTIYLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-6-12(16)8-14(7-11)17-13-2-4-19-15(9-13)3-5-18-10-15/h6-8,13,17H,2-5,9-10,16H2,1H3.
What are the key properties of 3-N-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methylbenzene-1,3-diamine?
3-N-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methylbenzene-1,3-diamine has a molecular weight of 262.35 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methylbenzene-1,3-diamine is sourced from PubChem (CID 138684089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).