1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-methoxyethanone

C14H27N3O2 — CID 56740268

IUPAC1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCCN(C)C2(CCN(C)CC2)C1
InChIInChI=1S/C14H27N3O2/c1-15-9-5-14(6-10-15)12-17(13(18)11-19-3)8-4-7-16(14)2/h4-12H2,1-3H3
InChIKeyRWWAGQMTRQOSBX-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.26
Rot. Bonds2

About 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-methoxyethanone

1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-methoxyethanone (PubChem CID 56740268) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-methoxyethanone
PubChem CID56740268
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCCN(C)C2(CCN(C)CC2)C1
InChIInChI=1S/C14H27N3O2/c1-15-9-5-14(6-10-15)12-17(13(18)11-19-3)8-4-7-16(14)2/h4-12H2,1-3H3
InChIKeyRWWAGQMTRQOSBX-UHFFFAOYSA-N
XLogP0.26
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-methoxyethanone?
The IUPAC name of 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-methoxyethanone (CID 56740268) is 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-methoxyethanone?
The canonical SMILES for 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-methoxyethanone is COCC(=O)N1CCCN(C)C2(CCN(C)CC2)C1.
What is the InChIKey of 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-methoxyethanone?
The InChIKey is RWWAGQMTRQOSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-15-9-5-14(6-10-15)12-17(13(18)11-19-3)8-4-7-16(14)2/h4-12H2,1-3H3.
What are the key properties of 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-methoxyethanone?
1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-methoxyethanone has a molecular weight of 269.39 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-methoxyethanone is sourced from PubChem (CID 56740268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).