5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclopentane]-6-one

C16H26N2O — CID 714302

IUPAC5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclopentane]-6-one
SMILESCCCC12CN3CC(C)(CN(C1)C31CCCC1)C2=O
InChIInChI=1S/C16H26N2O/c1-3-6-15-11-17-9-14(2,13(15)19)10-18(12-15)16(17)7-4-5-8-16/h3-12H2,1-2H3
InChIKeyHLRNPUOFFBSTHU-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.26
Rot. Bonds2

About 5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclopentane]-6-one

5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclopentane]-6-one (PubChem CID 714302) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclopentane]-6-one.

Molecular Properties

Compound Name5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclopentane]-6-one
PubChem CID714302
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclopentane]-6-one
SMILESCCCC12CN3CC(C)(CN(C1)C31CCCC1)C2=O
InChIInChI=1S/C16H26N2O/c1-3-6-15-11-17-9-14(2,13(15)19)10-18(12-15)16(17)7-4-5-8-16/h3-12H2,1-2H3
InChIKeyHLRNPUOFFBSTHU-UHFFFAOYSA-N
XLogP2.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.26
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
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
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
2-Cyclohexyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
CID 702974
2-Cyclohexyl-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
CID 704055

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclopentane]-6-one?
The IUPAC name of 5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclopentane]-6-one (CID 714302) is 5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclopentane]-6-one.
What is the SMILES notation for 5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclopentane]-6-one?
The canonical SMILES for 5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclopentane]-6-one is CCCC12CN3CC(C)(CN(C1)C31CCCC1)C2=O.
What is the InChIKey of 5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclopentane]-6-one?
The InChIKey is HLRNPUOFFBSTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-6-15-11-17-9-14(2,13(15)19)10-18(12-15)16(17)7-4-5-8-16/h3-12H2,1-2H3.
What are the key properties of 5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclopentane]-6-one?
5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclopentane]-6-one has a molecular weight of 262.40 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclopentane]-6-one is sourced from PubChem (CID 714302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).