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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Related Compounds

N-methyl-N-(quinolin-5-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 70780716
N-methyl-N-[(2-methyl-4-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride
CID 154920630
N-[(4-aminophenyl)methyl]-N-methyl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79894065
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride
CID 154919616
3-[1,9-dioxaspiro[5.5]undecan-4-yl(methyl)amino]propanenitrile
CID 79903565
(4R)-N-[3-(4-chlorophenoxy)propyl]-N-methyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96574016
3-N-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-N-methylbenzene-1,3-diamine
CID 79894066
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methyloxan-4-amine
CID 63887848
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride
CID 154923559
4-[[methyl(6-oxaspiro[4.5]decan-9-yl)amino]methyl]oxan-4-ol
CID 114952717
[(4S)-4-[benzyl(methyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone
CID 164638881
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride
CID 154923998

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).