1-[9-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine

C21H38N2O3 — CID 167801870

IUPAC1-[9-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1COC2(CCCC2)CN1CC1CCC2(CCOCC2)CO1
InChIInChI=1S/C21H38N2O3/c1-22(2)13-18-15-26-21(6-3-4-7-21)16-23(18)14-19-5-8-20(17-25-19)9-11-24-12-10-20/h18-19H,3-17H2,1-2H3
InChIKeyWJPFDFSIIZYZOK-UHFFFAOYSA-N
MW366.55 g/mol
LogP2.54
Rot. Bonds4

About 1-[9-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine

1-[9-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine (PubChem CID 167801870) has the molecular formula C21H38N2O3 and a molecular weight of 366.55 g/mol. Its IUPAC name is 1-[9-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[9-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine
PubChem CID167801870
Molecular FormulaC21H38N2O3
Molecular Weight366.55 g/mol
Exact Mass366.29
IUPAC Name1-[9-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1COC2(CCCC2)CN1CC1CCC2(CCOCC2)CO1
InChIInChI=1S/C21H38N2O3/c1-22(2)13-18-15-26-21(6-3-4-7-21)16-23(18)14-19-5-8-20(17-25-19)9-11-24-12-10-20/h18-19H,3-17H2,1-2H3
InChIKeyWJPFDFSIIZYZOK-UHFFFAOYSA-N
XLogP2.54
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[9-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine with MolForge

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Related Compounds

ethane;3-ethyl-2,9-dioxaspiro[5.5]undecane
CID 178155976
N,N-dimethyl-1-[9-[(1-methylbenzimidazol-4-yl)methyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]methanamine
CID 167872712
2,9-dioxaspiro[5.5]undecan-3-ylmethanesulfinic acid
CID 165450506
2,9-dioxaspiro[5.5]undecan-3-ylmethanesulfonyl fluoride
CID 154832148
(3R)-3-methyl-2,9-dioxaspiro[5.5]undecane
CID 146427994
4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]oxane-4-carboxylic acid
CID 62888173
N-[[4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62889036
5-[(dimethylamino)methyl]-1-(oxan-2-ylmethyl)pyrrolidin-3-ol
CID 66052432
N,N-dimethyl-1-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]methanamine
CID 62889038
(3S,5R)-3-(bromomethyl)-2,7-dioxaspiro[4.4]nonane
CID 125455903
N,N-dimethyl-1-(6-oxa-9-azaspiro[4.5]decan-8-yl)methanamine
CID 126838524
8-[(dimethylamino)methyl]-N-(6-methyl-2-pyridinyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 127267282

Frequently Asked Questions

What is the IUPAC name of 1-[9-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[9-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine (CID 167801870) is 1-[9-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[9-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[9-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine is CN(C)CC1COC2(CCCC2)CN1CC1CCC2(CCOCC2)CO1.
What is the InChIKey of 1-[9-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine?
The InChIKey is WJPFDFSIIZYZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O3/c1-22(2)13-18-15-26-21(6-3-4-7-21)16-23(18)14-19-5-8-20(17-25-19)9-11-24-12-10-20/h18-19H,3-17H2,1-2H3.
What are the key properties of 1-[9-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine?
1-[9-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine has a molecular weight of 366.55 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 167801870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).