cyclohexyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone

C15H26N2O — CID 134506567

IUPACcyclohexyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
SMILESCC(C)N1CC2CC(C1)N2C(=O)C1CCCCC1
InChIInChI=1S/C15H26N2O/c1-11(2)16-9-13-8-14(10-16)17(13)15(18)12-6-4-3-5-7-12/h11-14H,3-10H2,1-2H3
InChIKeyOVQHMQZORDEYFZ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.26
Rot. Bonds2

About cyclohexyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone

cyclohexyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone (PubChem CID 134506567) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is cyclohexyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
PubChem CID134506567
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Namecyclohexyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
SMILESCC(C)N1CC2CC(C1)N2C(=O)C1CCCCC1
InChIInChI=1S/C15H26N2O/c1-11(2)16-9-13-8-14(10-16)17(13)15(18)12-6-4-3-5-7-12/h11-14H,3-10H2,1-2H3
InChIKeyOVQHMQZORDEYFZ-UHFFFAOYSA-N
XLogP2.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
CID 134506569
piperidin-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
CID 156837063
2-hydroxy-2-methyl-1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)propan-1-one
CID 146393528
cyclopentyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-fluoropyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-methoxypyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxan-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxolan-2-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone
CID 160651295
cyclohexyl-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 897689
1-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanone
CID 129355291
1-propan-2-ylazepane-3-carboxylic acid
CID 83618658
cyclohexyl-[3-[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone
CID 176862714
1-(1-propan-2-ylpyrrolidin-3-yl)azepane-2-carboxylic acid
CID 65069569
10-methyl-8-propan-2-yl-8,10-diazabicyclo[4.3.2]undecane
CID 176748103
(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-(4-propan-2-ylsulfonylpiperazin-1-yl)methanone
CID 170175039
1-cyclohexylpropan-1-one;8-(5-piperidin-4-ylpyrimidin-2-yl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 155739992

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone?
The IUPAC name of cyclohexyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone (CID 134506567) is cyclohexyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone.
What is the SMILES notation for cyclohexyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone?
The canonical SMILES for cyclohexyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone is CC(C)N1CC2CC(C1)N2C(=O)C1CCCCC1.
What is the InChIKey of cyclohexyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone?
The InChIKey is OVQHMQZORDEYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11(2)16-9-13-8-14(10-16)17(13)15(18)12-6-4-3-5-7-12/h11-14H,3-10H2,1-2H3.
What are the key properties of cyclohexyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone?
cyclohexyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone has a molecular weight of 250.39 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone is sourced from PubChem (CID 134506567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).