3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanenitrile

C13H23N3 — CID 79174299

IUPAC3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanenitrile
SMILESCCC(CC#N)N1CCC2CCC(C1)N2C
InChIInChI=1S/C13H23N3/c1-3-11(6-8-14)16-9-7-12-4-5-13(10-16)15(12)2/h11-13H,3-7,9-10H2,1-2H3
InChIKeyNJVLTNBRJCDVSF-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.85
Rot. Bonds3

About 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanenitrile

3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanenitrile (PubChem CID 79174299) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanenitrile.

Molecular Properties

Compound Name3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanenitrile
PubChem CID79174299
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanenitrile
SMILESCCC(CC#N)N1CCC2CCC(C1)N2C
InChIInChI=1S/C13H23N3/c1-3-11(6-8-14)16-9-7-12-4-5-13(10-16)15(12)2/h11-13H,3-7,9-10H2,1-2H3
InChIKeyNJVLTNBRJCDVSF-UHFFFAOYSA-N
XLogP1.85
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanenitrile
CID 79938597
3-[3-(1-aminoethyl)pyrrolidin-1-yl]pentanenitrile
CID 103976557
3-(4-amino-3-ethylpiperidin-1-yl)pentanenitrile
CID 81459571
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentanenitrile
CID 114797618
3-(4,4-dimethylpiperidin-1-yl)pentanenitrile
CID 62935700
3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile
CID 63241803
3-[2-(aminomethyl)morpholin-4-yl]pentanenitrile
CID 114398825
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-methylsulfanylbutan-1-amine
CID 79175307
3-(4,4-diethylpiperidin-1-yl)pentanenitrile
CID 55218860
3-(3-hydroxy-5-methylpiperidin-1-yl)pentanenitrile
CID 130802981
4-amino-N-ethyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide
CID 79175132
(3S)-1-pentan-3-ylpyrrolidin-3-amine;dihydrochloride
CID 166000535

Frequently Asked Questions

What is the IUPAC name of 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanenitrile?
The IUPAC name of 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanenitrile (CID 79174299) is 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanenitrile.
What is the SMILES notation for 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanenitrile?
The canonical SMILES for 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanenitrile is CCC(CC#N)N1CCC2CCC(C1)N2C.
What is the InChIKey of 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanenitrile?
The InChIKey is NJVLTNBRJCDVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-11(6-8-14)16-9-7-12-4-5-13(10-16)15(12)2/h11-13H,3-7,9-10H2,1-2H3.
What are the key properties of 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanenitrile?
3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanenitrile has a molecular weight of 221.35 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanenitrile is sourced from PubChem (CID 79174299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).