2,5,7-trimethyl-2-(2-methylpropyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

C15H26N2O — CID 138115510

IUPAC2,5,7-trimethyl-2-(2-methylpropyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCC(C)CC1(C)N2CC3(C)CN1CC(C)(C2)C3=O
InChIInChI=1S/C15H26N2O/c1-11(2)6-15(5)16-7-13(3)8-17(15)10-14(4,9-16)12(13)18/h11H,6-10H2,1-5H3
InChIKeyNFPUFJKQEBHXOG-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.98
Rot. Bonds2

About 2,5,7-trimethyl-2-(2-methylpropyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

2,5,7-trimethyl-2-(2-methylpropyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (PubChem CID 138115510) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2,5,7-trimethyl-2-(2-methylpropyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.

Molecular Properties

Compound Name2,5,7-trimethyl-2-(2-methylpropyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
PubChem CID138115510
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2,5,7-trimethyl-2-(2-methylpropyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCC(C)CC1(C)N2CC3(C)CN1CC(C)(C2)C3=O
InChIInChI=1S/C15H26N2O/c1-11(2)6-15(5)16-7-13(3)8-17(15)10-14(4,9-16)12(13)18/h11H,6-10H2,1-5H3
InChIKeyNFPUFJKQEBHXOG-UHFFFAOYSA-N
XLogP1.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 2,2,5,7-tetramethyl-
CID 596440
5'-Methyl-7'-propyl-1',3'-diazaspiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-6'-one
CID 752764
5,7-Diisopropyl-2,2-dimethyl-1,3-diazaadamantan-6-one
CID 808569
5,7-Dimethyl-1,3-diazaadamantan-6-one
CID 586797
Spiro(cyclohexane-1,2'-(1,3)diazatricyclo(3.3.1.1(sup 3,7))decan)-6'-one, 5',7'-dimethyl-
CID 689311
Spiro(cyclopentane-1,2'-(1,3)diazatricyclo(3.3.1.1(sup 3,7))decan)-6'-one, 5',7'-dimethyl-
CID 703056
1,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-dimethyl-2-ethyl-
CID 1738129
1,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-dimethyl-, hydrochloride
CID 3075224
5,7-Dipropyl-1,3-diazaadamantan-6-one
CID 535997
5,7-Di-isopropyl-1,3-diazaadamantan-6-one
CID 616813
2-Ethyl-2,5-dimethyl-7-propyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
CID 714304
5-Methyl-7-propyl-1,3-diazaadamantan-6-one
CID 597301

Frequently Asked Questions

What is the IUPAC name of 2,5,7-trimethyl-2-(2-methylpropyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The IUPAC name of 2,5,7-trimethyl-2-(2-methylpropyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (CID 138115510) is 2,5,7-trimethyl-2-(2-methylpropyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
What is the SMILES notation for 2,5,7-trimethyl-2-(2-methylpropyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The canonical SMILES for 2,5,7-trimethyl-2-(2-methylpropyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is CC(C)CC1(C)N2CC3(C)CN1CC(C)(C2)C3=O.
What is the InChIKey of 2,5,7-trimethyl-2-(2-methylpropyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The InChIKey is NFPUFJKQEBHXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11(2)6-15(5)16-7-13(3)8-17(15)10-14(4,9-16)12(13)18/h11H,6-10H2,1-5H3.
What are the key properties of 2,5,7-trimethyl-2-(2-methylpropyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
2,5,7-trimethyl-2-(2-methylpropyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one has a molecular weight of 250.39 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7-trimethyl-2-(2-methylpropyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is sourced from PubChem (CID 138115510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).