2-butyl-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

C14H24N2O — CID 3132863

IUPAC2-butyl-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCCCCC1N2CC3(C)CN1CC(C)(C2)C3=O
InChIInChI=1S/C14H24N2O/c1-4-5-6-11-15-7-13(2)8-16(11)10-14(3,9-15)12(13)17/h11H,4-10H2,1-3H3
InChIKeyGXZNHXURDCSUGY-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.73
Rot. Bonds3

About 2-butyl-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

2-butyl-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (PubChem CID 3132863) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-butyl-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.

Molecular Properties

Compound Name2-butyl-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
PubChem CID3132863
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-butyl-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCCCCC1N2CC3(C)CN1CC(C)(C2)C3=O
InChIInChI=1S/C14H24N2O/c1-4-5-6-11-15-7-13(2)8-16(11)10-14(3,9-15)12(13)17/h11H,4-10H2,1-3H3
InChIKeyGXZNHXURDCSUGY-UHFFFAOYSA-N
XLogP1.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The IUPAC name of 2-butyl-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (CID 3132863) is 2-butyl-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
What is the SMILES notation for 2-butyl-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The canonical SMILES for 2-butyl-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is CCCCC1N2CC3(C)CN1CC(C)(C2)C3=O.
What is the InChIKey of 2-butyl-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The InChIKey is GXZNHXURDCSUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-5-6-11-15-7-13(2)8-16(11)10-14(3,9-15)12(13)17/h11H,4-10H2,1-3H3.
What are the key properties of 2-butyl-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
2-butyl-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one has a molecular weight of 236.36 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is sourced from PubChem (CID 3132863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).