N-methyl-N-(quinolin-5-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine

C20H26N2O2 — CID 70780716

IUPACN-methyl-N-(quinolin-5-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESCN(Cc1cccc2ncccc12)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C20H26N2O2/c1-22(15-16-4-2-6-19-18(16)5-3-10-21-19)17-7-11-24-20(14-17)8-12-23-13-9-20/h2-6,10,17H,7-9,11-15H2,1H3
InChIKeyXHWOIXRQDHMHGM-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.39
Rot. Bonds3

About N-methyl-N-(quinolin-5-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine

N-methyl-N-(quinolin-5-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine (PubChem CID 70780716) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-methyl-N-(quinolin-5-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-methyl-N-(quinolin-5-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine
PubChem CID70780716
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-methyl-N-(quinolin-5-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESCN(Cc1cccc2ncccc12)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C20H26N2O2/c1-22(15-16-4-2-6-19-18(16)5-3-10-21-19)17-7-11-24-20(14-17)8-12-23-13-9-20/h2-6,10,17H,7-9,11-15H2,1H3
InChIKeyXHWOIXRQDHMHGM-UHFFFAOYSA-N
XLogP3.39
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(quinoxalin-6-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 70725853
3-N-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-N-methylbenzene-1,3-diamine
CID 79894066
1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-2-pyridinyl)methanol
CID 82732432
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
3-[[methyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid
CID 63069334
N-methyl-N-[(2-methyl-4-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride
CID 154920630
(4R)-N-[3-(4-chlorophenoxy)propyl]-N-methyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96574016
3-(2,6-dioxaspiro[4.5]decan-9-ylmethyl)pyridin-2-amine
CID 79920725
[(4S)-4-[benzyl(methyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone
CID 164638881
N-[(5-bromoquinolin-8-yl)methyl]-N-methyloxolan-3-amine
CID 75517964

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(quinolin-5-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-methyl-N-(quinolin-5-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine (CID 70780716) is N-methyl-N-(quinolin-5-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-methyl-N-(quinolin-5-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-methyl-N-(quinolin-5-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine is CN(Cc1cccc2ncccc12)C1CCOC2(CCOCC2)C1.
What is the InChIKey of N-methyl-N-(quinolin-5-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
The InChIKey is XHWOIXRQDHMHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-22(15-16-4-2-6-19-18(16)5-3-10-21-19)17-7-11-24-20(14-17)8-12-23-13-9-20/h2-6,10,17H,7-9,11-15H2,1H3.
What are the key properties of N-methyl-N-(quinolin-5-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
N-methyl-N-(quinolin-5-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine has a molecular weight of 326.44 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(quinolin-5-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 70780716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).