5-methyl-2-propan-2-yl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

C15H26N2O — CID 752765

IUPAC5-methyl-2-propan-2-yl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCCCC12CN3CC(C)(CN(C1)C3C(C)C)C2=O
InChIInChI=1S/C15H26N2O/c1-5-6-15-9-16-7-14(4,13(15)18)8-17(10-15)12(16)11(2)3/h11-12H,5-10H2,1-4H3
InChIKeyWRXLYTHVPBNHDG-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.98
Rot. Bonds3

About 5-methyl-2-propan-2-yl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

5-methyl-2-propan-2-yl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (PubChem CID 752765) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
PubChem CID752765
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name5-methyl-2-propan-2-yl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCCCC12CN3CC(C)(CN(C1)C3C(C)C)C2=O
InChIInChI=1S/C15H26N2O/c1-5-6-15-9-16-7-14(4,13(15)18)8-17(10-15)12(16)11(2)3/h11-12H,5-10H2,1-4H3
InChIKeyWRXLYTHVPBNHDG-UHFFFAOYSA-N
XLogP1.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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
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
2-[[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]methyl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
CID 171348899
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 5-methyl-2-propan-2-yl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The IUPAC name of 5-methyl-2-propan-2-yl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (CID 752765) is 5-methyl-2-propan-2-yl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
What is the SMILES notation for 5-methyl-2-propan-2-yl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The canonical SMILES for 5-methyl-2-propan-2-yl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is CCCC12CN3CC(C)(CN(C1)C3C(C)C)C2=O.
What is the InChIKey of 5-methyl-2-propan-2-yl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The InChIKey is WRXLYTHVPBNHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-6-15-9-16-7-14(4,13(15)18)8-17(10-15)12(16)11(2)3/h11-12H,5-10H2,1-4H3.
What are the key properties of 5-methyl-2-propan-2-yl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
5-methyl-2-propan-2-yl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one has a molecular weight of 250.39 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is sourced from PubChem (CID 752765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).