N-methyl-N-(quinoxalin-6-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine

C19H25N3O2 — CID 70725853

IUPACN-methyl-N-(quinoxalin-6-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESCN(Cc1ccc2nccnc2c1)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C19H25N3O2/c1-22(14-15-2-3-17-18(12-15)21-8-7-20-17)16-4-9-24-19(13-16)5-10-23-11-6-19/h2-3,7-8,12,16H,4-6,9-11,13-14H2,1H3
InChIKeyKQCQIPZCGJZAKJ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.79
Rot. Bonds3

About N-methyl-N-(quinoxalin-6-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine

N-methyl-N-(quinoxalin-6-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine (PubChem CID 70725853) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-methyl-N-(quinoxalin-6-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-methyl-N-(quinoxalin-6-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine
PubChem CID70725853
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-methyl-N-(quinoxalin-6-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESCN(Cc1ccc2nccnc2c1)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C19H25N3O2/c1-22(14-15-2-3-17-18(12-15)21-8-7-20-17)16-4-9-24-19(13-16)5-10-23-11-6-19/h2-3,7-8,12,16H,4-6,9-11,13-14H2,1H3
InChIKeyKQCQIPZCGJZAKJ-UHFFFAOYSA-N
XLogP2.79
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(quinoxalin-6-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-methyl-N-(quinoxalin-6-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine (CID 70725853) is N-methyl-N-(quinoxalin-6-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-methyl-N-(quinoxalin-6-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-methyl-N-(quinoxalin-6-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine is CN(Cc1ccc2nccnc2c1)C1CCOC2(CCOCC2)C1.
What is the InChIKey of N-methyl-N-(quinoxalin-6-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
The InChIKey is KQCQIPZCGJZAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-22(14-15-2-3-17-18(12-15)21-8-7-20-17)16-4-9-24-19(13-16)5-10-23-11-6-19/h2-3,7-8,12,16H,4-6,9-11,13-14H2,1H3.
What are the key properties of N-methyl-N-(quinoxalin-6-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
N-methyl-N-(quinoxalin-6-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine has a molecular weight of 327.43 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(quinoxalin-6-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 70725853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).