1-[(5R,8S)-10,10-dimethyl-7-(2-methylbutan-2-yl)-7-azadispiro[3.0.45.14]decan-8-yl]propan-1-one

C19H33NO — CID 70863446

IUPAC1-[(5R,8S)-10,10-dimethyl-7-(2-methylbutan-2-yl)-7-azadispiro[3.0.45.14]decan-8-yl]propan-1-one
SMILESCCC(=O)[C@@H]1C[C@@]2(CN1C(C)(C)CC)C(C)(C)C21CCC1
InChIInChI=1S/C19H33NO/c1-7-15(21)14-12-19(13-20(14)16(3,4)8-2)17(5,6)18(19)10-9-11-18/h14H,7-13H2,1-6H3/t14-,19+/m0/s1
InChIKeyYEJUKUOHTUKQHG-IFXJQAMLSA-N
MW291.48 g/mol
LogP4.42
Rot. Bonds4

About 1-[(5R,8S)-10,10-dimethyl-7-(2-methylbutan-2-yl)-7-azadispiro[3.0.45.14]decan-8-yl]propan-1-one

1-[(5R,8S)-10,10-dimethyl-7-(2-methylbutan-2-yl)-7-azadispiro[3.0.45.14]decan-8-yl]propan-1-one (PubChem CID 70863446) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-[(5R,8S)-10,10-dimethyl-7-(2-methylbutan-2-yl)-7-azadispiro[3.0.45.14]decan-8-yl]propan-1-one.

Molecular Properties

Compound Name1-[(5R,8S)-10,10-dimethyl-7-(2-methylbutan-2-yl)-7-azadispiro[3.0.45.14]decan-8-yl]propan-1-one
PubChem CID70863446
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-[(5R,8S)-10,10-dimethyl-7-(2-methylbutan-2-yl)-7-azadispiro[3.0.45.14]decan-8-yl]propan-1-one
SMILESCCC(=O)[C@@H]1C[C@@]2(CN1C(C)(C)CC)C(C)(C)C21CCC1
InChIInChI=1S/C19H33NO/c1-7-15(21)14-12-19(13-20(14)16(3,4)8-2)17(5,6)18(19)10-9-11-18/h14H,7-13H2,1-6H3/t14-,19+/m0/s1
InChIKeyYEJUKUOHTUKQHG-IFXJQAMLSA-N
XLogP4.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5R,8S)-10,10-dimethyl-7-(2-methylbutan-2-yl)-7-azadispiro[3.0.45.14]decan-8-yl]propan-1-one?
The IUPAC name of 1-[(5R,8S)-10,10-dimethyl-7-(2-methylbutan-2-yl)-7-azadispiro[3.0.45.14]decan-8-yl]propan-1-one (CID 70863446) is 1-[(5R,8S)-10,10-dimethyl-7-(2-methylbutan-2-yl)-7-azadispiro[3.0.45.14]decan-8-yl]propan-1-one.
What is the SMILES notation for 1-[(5R,8S)-10,10-dimethyl-7-(2-methylbutan-2-yl)-7-azadispiro[3.0.45.14]decan-8-yl]propan-1-one?
The canonical SMILES for 1-[(5R,8S)-10,10-dimethyl-7-(2-methylbutan-2-yl)-7-azadispiro[3.0.45.14]decan-8-yl]propan-1-one is CCC(=O)[C@@H]1C[C@@]2(CN1C(C)(C)CC)C(C)(C)C21CCC1.
What is the InChIKey of 1-[(5R,8S)-10,10-dimethyl-7-(2-methylbutan-2-yl)-7-azadispiro[3.0.45.14]decan-8-yl]propan-1-one?
The InChIKey is YEJUKUOHTUKQHG-IFXJQAMLSA-N. The full InChI is InChI=1S/C19H33NO/c1-7-15(21)14-12-19(13-20(14)16(3,4)8-2)17(5,6)18(19)10-9-11-18/h14H,7-13H2,1-6H3/t14-,19+/m0/s1.
What are the key properties of 1-[(5R,8S)-10,10-dimethyl-7-(2-methylbutan-2-yl)-7-azadispiro[3.0.45.14]decan-8-yl]propan-1-one?
1-[(5R,8S)-10,10-dimethyl-7-(2-methylbutan-2-yl)-7-azadispiro[3.0.45.14]decan-8-yl]propan-1-one has a molecular weight of 291.48 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R,8S)-10,10-dimethyl-7-(2-methylbutan-2-yl)-7-azadispiro[3.0.45.14]decan-8-yl]propan-1-one is sourced from PubChem (CID 70863446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).