(2-ethyl-2,5-dimethyl-1-azaspiro[5.5]undecan-4-yl) N-methylcarbamate

C16H30N2O2 — CID 21330468

IUPAC(2-ethyl-2,5-dimethyl-1-azaspiro[5.5]undecan-4-yl) N-methylcarbamate
SMILESCCC1(C)CC(OC(=O)NC)C(C)C2(CCCCC2)N1
InChIInChI=1S/C16H30N2O2/c1-5-15(3)11-13(20-14(19)17-4)12(2)16(18-15)9-7-6-8-10-16/h12-13,18H,5-11H2,1-4H3,(H,17,19)
InChIKeyDLYMMKWRMKIZED-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.21
Rot. Bonds2

About (2-ethyl-2,5-dimethyl-1-azaspiro[5.5]undecan-4-yl) N-methylcarbamate

(2-ethyl-2,5-dimethyl-1-azaspiro[5.5]undecan-4-yl) N-methylcarbamate (PubChem CID 21330468) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (2-ethyl-2,5-dimethyl-1-azaspiro[5.5]undecan-4-yl) N-methylcarbamate.

Molecular Properties

Compound Name(2-ethyl-2,5-dimethyl-1-azaspiro[5.5]undecan-4-yl) N-methylcarbamate
PubChem CID21330468
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name(2-ethyl-2,5-dimethyl-1-azaspiro[5.5]undecan-4-yl) N-methylcarbamate
SMILESCCC1(C)CC(OC(=O)NC)C(C)C2(CCCCC2)N1
InChIInChI=1S/C16H30N2O2/c1-5-15(3)11-13(20-14(19)17-4)12(2)16(18-15)9-7-6-8-10-16/h12-13,18H,5-11H2,1-4H3,(H,17,19)
InChIKeyDLYMMKWRMKIZED-UHFFFAOYSA-N
XLogP3.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-2,5-dimethyl-1-azaspiro[5.5]undecan-4-yl) N-methylcarbamate?
The IUPAC name of (2-ethyl-2,5-dimethyl-1-azaspiro[5.5]undecan-4-yl) N-methylcarbamate (CID 21330468) is (2-ethyl-2,5-dimethyl-1-azaspiro[5.5]undecan-4-yl) N-methylcarbamate.
What is the SMILES notation for (2-ethyl-2,5-dimethyl-1-azaspiro[5.5]undecan-4-yl) N-methylcarbamate?
The canonical SMILES for (2-ethyl-2,5-dimethyl-1-azaspiro[5.5]undecan-4-yl) N-methylcarbamate is CCC1(C)CC(OC(=O)NC)C(C)C2(CCCCC2)N1.
What is the InChIKey of (2-ethyl-2,5-dimethyl-1-azaspiro[5.5]undecan-4-yl) N-methylcarbamate?
The InChIKey is DLYMMKWRMKIZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-5-15(3)11-13(20-14(19)17-4)12(2)16(18-15)9-7-6-8-10-16/h12-13,18H,5-11H2,1-4H3,(H,17,19).
What are the key properties of (2-ethyl-2,5-dimethyl-1-azaspiro[5.5]undecan-4-yl) N-methylcarbamate?
(2-ethyl-2,5-dimethyl-1-azaspiro[5.5]undecan-4-yl) N-methylcarbamate has a molecular weight of 282.43 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-2,5-dimethyl-1-azaspiro[5.5]undecan-4-yl) N-methylcarbamate is sourced from PubChem (CID 21330468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).