3-N,3-N-dimethyl-2-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)pyrazine-2,3-diamine;dihydrochloride

C15H27Cl2N5O — CID 154918332

IUPAC3-N,3-N-dimethyl-2-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)pyrazine-2,3-diamine;dihydrochloride
SMILESCN(C)c1nccnc1NCC1CC2(CCNCC2)CO1.Cl.Cl
InChIInChI=1S/C15H25N5O.2ClH/c1-20(2)14-13(17-7-8-18-14)19-10-12-9-15(11-21-12)3-5-16-6-4-15;;/h7-8,12,16H,3-6,9-11H2,1-2H3,(H,17,19);2*1H
InChIKeyLVVXDDOMXKCBEP-UHFFFAOYSA-N
MW364.32 g/mol
LogP1.96
Rot. Bonds4

About 3-N,3-N-dimethyl-2-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)pyrazine-2,3-diamine;dihydrochloride

3-N,3-N-dimethyl-2-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)pyrazine-2,3-diamine;dihydrochloride (PubChem CID 154918332) has the molecular formula C15H27Cl2N5O and a molecular weight of 364.32 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-2-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)pyrazine-2,3-diamine;dihydrochloride.

Molecular Properties

Compound Name3-N,3-N-dimethyl-2-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)pyrazine-2,3-diamine;dihydrochloride
PubChem CID154918332
Molecular FormulaC15H27Cl2N5O
Molecular Weight364.32 g/mol
Exact Mass363.16
IUPAC Name3-N,3-N-dimethyl-2-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)pyrazine-2,3-diamine;dihydrochloride
SMILESCN(C)c1nccnc1NCC1CC2(CCNCC2)CO1.Cl.Cl
InChIInChI=1S/C15H25N5O.2ClH/c1-20(2)14-13(17-7-8-18-14)19-10-12-9-15(11-21-12)3-5-16-6-4-15;;/h7-8,12,16H,3-6,9-11H2,1-2H3,(H,17,19);2*1H
InChIKeyLVVXDDOMXKCBEP-UHFFFAOYSA-N
XLogP1.96
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-2-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)pyrazine-2,3-diamine;dihydrochloride?
The IUPAC name of 3-N,3-N-dimethyl-2-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)pyrazine-2,3-diamine;dihydrochloride (CID 154918332) is 3-N,3-N-dimethyl-2-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)pyrazine-2,3-diamine;dihydrochloride.
What is the SMILES notation for 3-N,3-N-dimethyl-2-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)pyrazine-2,3-diamine;dihydrochloride?
The canonical SMILES for 3-N,3-N-dimethyl-2-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)pyrazine-2,3-diamine;dihydrochloride is CN(C)c1nccnc1NCC1CC2(CCNCC2)CO1.Cl.Cl.
What is the InChIKey of 3-N,3-N-dimethyl-2-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)pyrazine-2,3-diamine;dihydrochloride?
The InChIKey is LVVXDDOMXKCBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O.2ClH/c1-20(2)14-13(17-7-8-18-14)19-10-12-9-15(11-21-12)3-5-16-6-4-15;;/h7-8,12,16H,3-6,9-11H2,1-2H3,(H,17,19);2*1H.
What are the key properties of 3-N,3-N-dimethyl-2-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)pyrazine-2,3-diamine;dihydrochloride?
3-N,3-N-dimethyl-2-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)pyrazine-2,3-diamine;dihydrochloride has a molecular weight of 364.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-2-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)pyrazine-2,3-diamine;dihydrochloride is sourced from PubChem (CID 154918332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).