1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexane-1-carbonitrile

C16H25N3O — CID 79079811

IUPAC1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexane-1-carbonitrile
SMILESCN1C2CCC1CN(C(=O)C1(C#N)CCCCC1)CC2
InChIInChI=1S/C16H25N3O/c1-18-13-5-6-14(18)11-19(10-7-13)15(20)16(12-17)8-3-2-4-9-16/h13-14H,2-11H2,1H3
InChIKeyQWGFYWNBTILHBI-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.16
Rot. Bonds1

About 1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexane-1-carbonitrile

1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexane-1-carbonitrile (PubChem CID 79079811) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexane-1-carbonitrile
PubChem CID79079811
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexane-1-carbonitrile
SMILESCN1C2CCC1CN(C(=O)C1(C#N)CCCCC1)CC2
InChIInChI=1S/C16H25N3O/c1-18-13-5-6-14(18)11-19(10-7-13)15(20)16(12-17)8-3-2-4-9-16/h13-14H,2-11H2,1H3
InChIKeyQWGFYWNBTILHBI-UHFFFAOYSA-N
XLogP2.16
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclobutane-1-carbonitrile
CID 79078849
1-(3-morpholin-4-ylpyrrolidine-1-carbonyl)cyclopentane-1-carbonitrile
CID 63516166
1-(3-methoxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 103533305
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)cyclopentane-1-carbonitrile
CID 60718273
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)cyclobutane-1-carbonitrile
CID 78994544
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)cyclopentane-1-carbonitrile
CID 81199752
1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile
CID 114797597
methyl 1-(1-cyanocycloheptanecarbonyl)piperidine-3-carboxylate
CID 115534455
1-(piperidine-1-carbonyl)cyclopentane-1-carbonitrile
CID 51073773
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)cycloheptane-1-carbonitrile
CID 115559859
1-[(4aS)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine-6-carbonyl]cyclopentane-1-carbonitrile
CID 131686382
1-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile
CID 106669285

Frequently Asked Questions

What is the IUPAC name of 1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexane-1-carbonitrile (CID 79079811) is 1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexane-1-carbonitrile is CN1C2CCC1CN(C(=O)C1(C#N)CCCCC1)CC2.
What is the InChIKey of 1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexane-1-carbonitrile?
The InChIKey is QWGFYWNBTILHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-18-13-5-6-14(18)11-19(10-7-13)15(20)16(12-17)8-3-2-4-9-16/h13-14H,2-11H2,1H3.
What are the key properties of 1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexane-1-carbonitrile?
1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexane-1-carbonitrile has a molecular weight of 275.40 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79079811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).