9-N-methyl-1,5-dioxaspiro[5.5]undecane-3,9-diamine

C10H20N2O2 — CID 163467215

IUPAC9-N-methyl-1,5-dioxaspiro[5.5]undecane-3,9-diamine
SMILESCNC1CCC2(CC1)OCC(N)CO2
InChIInChI=1S/C10H20N2O2/c1-12-9-2-4-10(5-3-9)13-6-8(11)7-14-10/h8-9,12H,2-7,11H2,1H3
InChIKeyBTPMKEFISQEVQF-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.22
Rot. Bonds1

About 9-N-methyl-1,5-dioxaspiro[5.5]undecane-3,9-diamine

9-N-methyl-1,5-dioxaspiro[5.5]undecane-3,9-diamine (PubChem CID 163467215) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 9-N-methyl-1,5-dioxaspiro[5.5]undecane-3,9-diamine.

Molecular Properties

Compound Name9-N-methyl-1,5-dioxaspiro[5.5]undecane-3,9-diamine
PubChem CID163467215
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name9-N-methyl-1,5-dioxaspiro[5.5]undecane-3,9-diamine
SMILESCNC1CCC2(CC1)OCC(N)CO2
InChIInChI=1S/C10H20N2O2/c1-12-9-2-4-10(5-3-9)13-6-8(11)7-14-10/h8-9,12H,2-7,11H2,1H3
InChIKeyBTPMKEFISQEVQF-UHFFFAOYSA-N
XLogP0.22
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-amine
CID 82666438
methyl 9-methyl-1,5-dioxaspiro[5.5]undecane-3-carboxylate
CID 10466322
N,9-dimethylspiro[5.5]undecan-3-amine
CID 164846415
(8R)-1,4-dioxaspiro[4.4]nonan-8-amine
CID 95431886
cyclopropanamine;N-methylmethanamine
CID 69172103
N-(cyclopentylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43370815
2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-methylpropanamide
CID 61211074
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-amine
CID 79904478
4-(methylamino)-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79923576
N-(oxan-4-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 63727494
N-(1,4-dioxaspiro[4.5]decan-8-yl)ethanesulfonamide
CID 47372558
N-(oxetan-3-yl)-1,4-dioxaspiro[4.4]nonan-8-amine
CID 130609525

Frequently Asked Questions

What is the IUPAC name of 9-N-methyl-1,5-dioxaspiro[5.5]undecane-3,9-diamine?
The IUPAC name of 9-N-methyl-1,5-dioxaspiro[5.5]undecane-3,9-diamine (CID 163467215) is 9-N-methyl-1,5-dioxaspiro[5.5]undecane-3,9-diamine.
What is the SMILES notation for 9-N-methyl-1,5-dioxaspiro[5.5]undecane-3,9-diamine?
The canonical SMILES for 9-N-methyl-1,5-dioxaspiro[5.5]undecane-3,9-diamine is CNC1CCC2(CC1)OCC(N)CO2.
What is the InChIKey of 9-N-methyl-1,5-dioxaspiro[5.5]undecane-3,9-diamine?
The InChIKey is BTPMKEFISQEVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-12-9-2-4-10(5-3-9)13-6-8(11)7-14-10/h8-9,12H,2-7,11H2,1H3.
What are the key properties of 9-N-methyl-1,5-dioxaspiro[5.5]undecane-3,9-diamine?
9-N-methyl-1,5-dioxaspiro[5.5]undecane-3,9-diamine has a molecular weight of 200.28 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N-methyl-1,5-dioxaspiro[5.5]undecane-3,9-diamine is sourced from PubChem (CID 163467215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).