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

C14H28N2O2 — CID 79895671

IUPAC1-N-(2,6-dioxaspiro[4.5]decan-9-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)CNC1CCOC2(CCOC2)C1
InChIInChI=1S/C14H28N2O2/c1-13(2,16(3)4)10-15-12-5-7-18-14(9-12)6-8-17-11-14/h12,15H,5-11H2,1-4H3
InChIKeyMTVHTGBNBYAVFL-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.25
Rot. Bonds4

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

1-N-(2,6-dioxaspiro[4.5]decan-9-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 79895671) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-N-(2,6-dioxaspiro[4.5]decan-9-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2,6-dioxaspiro[4.5]decan-9-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID79895671
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-N-(2,6-dioxaspiro[4.5]decan-9-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)CNC1CCOC2(CCOC2)C1
InChIInChI=1S/C14H28N2O2/c1-13(2,16(3)4)10-15-12-5-7-18-14(9-12)6-8-17-11-14/h12,15H,5-11H2,1-4H3
InChIKeyMTVHTGBNBYAVFL-UHFFFAOYSA-N
XLogP1.25
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N-(2,6-dioxaspiro[4.5]decan-9-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine with MolForge

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Related Compounds

3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-dimethylpropan-1-ol
CID 115359952
N-(2,2,3,3-tetrafluoropropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 114169259
N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898440
N-(2,6-dioxaspiro[4.5]decan-9-yl)-N',N'-dimethylbutane-1,4-diamine
CID 79895176
N'-cyclopentyl-N-(2,6-dioxaspiro[4.5]decan-9-yl)-N'-methylethane-1,2-diamine
CID 79903270
N-(2-methylsulfanylethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79904121
N-(2,3-dimethylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903290
N-(2-methylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903955
N-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898486
N-(3-methoxypropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898117
N-[2-(3-methylbutoxy)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895677
2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2-methylpropanoic acid
CID 79893907

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,6-dioxaspiro[4.5]decan-9-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-(2,6-dioxaspiro[4.5]decan-9-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 79895671) is 1-N-(2,6-dioxaspiro[4.5]decan-9-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(2,6-dioxaspiro[4.5]decan-9-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-(2,6-dioxaspiro[4.5]decan-9-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine is CN(C)C(C)(C)CNC1CCOC2(CCOC2)C1.
What is the InChIKey of 1-N-(2,6-dioxaspiro[4.5]decan-9-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is MTVHTGBNBYAVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-13(2,16(3)4)10-15-12-5-7-18-14(9-12)6-8-17-11-14/h12,15H,5-11H2,1-4H3.
What are the key properties of 1-N-(2,6-dioxaspiro[4.5]decan-9-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-(2,6-dioxaspiro[4.5]decan-9-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 256.39 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,6-dioxaspiro[4.5]decan-9-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 79895671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).