2-[(6R)-10,10-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl]ethanamine

C12H25N3O — CID 908514

IUPAC2-[(6R)-10,10-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl]ethanamine
SMILESCC1(C)C[C@]2(CCO1)CN(CCN)CCN2
InChIInChI=1S/C12H25N3O/c1-11(2)9-12(3-8-16-11)10-15(6-4-13)7-5-14-12/h14H,3-10,13H2,1-2H3/t12-/m1/s1
InChIKeyPQNAXMCCNDZEGB-GFCCVEGCSA-N
MW227.35 g/mol
LogP0.18
Rot. Bonds2

About 2-[(6R)-10,10-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl]ethanamine

2-[(6R)-10,10-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl]ethanamine (PubChem CID 908514) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[(6R)-10,10-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl]ethanamine.

Molecular Properties

Compound Name2-[(6R)-10,10-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl]ethanamine
PubChem CID908514
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[(6R)-10,10-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl]ethanamine
SMILESCC1(C)C[C@]2(CCO1)CN(CCN)CCN2
InChIInChI=1S/C12H25N3O/c1-11(2)9-12(3-8-16-11)10-15(6-4-13)7-5-14-12/h14H,3-10,13H2,1-2H3/t12-/m1/s1
InChIKeyPQNAXMCCNDZEGB-GFCCVEGCSA-N
XLogP0.18
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(Dimethylamino)ethyl][(2,2-dimethyloxan-4-YL)methyl]amine
CID 23612491
[2-(Diethylamino)ethyl][(2,2-dimethyloxan-4-YL)methyl]amine
CID 23612492
1-Methyl-9-oxa-1,4-diazaspiro(5.5)undecane
CID 82412329
2,2,7-Trimethyl-3-oxa-7,11-diazaspiro[5.6]dodecane
CID 13051458
2,7-Dimethyl-2-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecane
CID 13051459
[2-Methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-yl]methanamine
CID 64110012
[2,2-Dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-yl]methanamine
CID 64110013
4-(aminomethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 65378225
4-(aminomethyl)-N-(2,2-difluoroethyl)-2,2-dimethyloxan-4-amine
CID 115406226
2,2'-(8,8-Dimethyl-9-oxa-1,4-diazaspiro[5.5]undecane-1,4-diyl)diacetonitrile
CID 2835746
10-Ethyl-10-methyl-9-oxa-1,4-diazaspiro[5.5]undecane;dihydrochloride
CID 126478005
1,4-Diaza-9-oxaspiro[5.5]undecane, 8-ethyl-8-methyl-
CID 598001

Frequently Asked Questions

What is the IUPAC name of 2-[(6R)-10,10-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl]ethanamine?
The IUPAC name of 2-[(6R)-10,10-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl]ethanamine (CID 908514) is 2-[(6R)-10,10-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl]ethanamine.
What is the SMILES notation for 2-[(6R)-10,10-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl]ethanamine?
The canonical SMILES for 2-[(6R)-10,10-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl]ethanamine is CC1(C)C[C@]2(CCO1)CN(CCN)CCN2.
What is the InChIKey of 2-[(6R)-10,10-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl]ethanamine?
The InChIKey is PQNAXMCCNDZEGB-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H25N3O/c1-11(2)9-12(3-8-16-11)10-15(6-4-13)7-5-14-12/h14H,3-10,13H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-[(6R)-10,10-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl]ethanamine?
2-[(6R)-10,10-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl]ethanamine has a molecular weight of 227.35 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6R)-10,10-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl]ethanamine is sourced from PubChem (CID 908514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).