2-amino-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanenitrile

C12H22N4 — CID 79175534

IUPAC2-amino-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanenitrile
SMILESCN1C2CCC1CN(CC(C)(N)C#N)CC2
InChIInChI=1S/C12H22N4/c1-12(14,8-13)9-16-6-5-10-3-4-11(7-16)15(10)2/h10-11H,3-7,9,14H2,1-2H3
InChIKeyDVYINKHYPNLUCE-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.40
Rot. Bonds2

About 2-amino-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanenitrile

2-amino-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanenitrile (PubChem CID 79175534) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-amino-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanenitrile
PubChem CID79175534
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-amino-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanenitrile
SMILESCN1C2CCC1CN(CC(C)(N)C#N)CC2
InChIInChI=1S/C12H22N4/c1-12(14,8-13)9-16-6-5-10-3-4-11(7-16)15(10)2/h10-11H,3-7,9,14H2,1-2H3
InChIKeyDVYINKHYPNLUCE-UHFFFAOYSA-N
XLogP0.40
TPSA56.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanenitrile
CID 63165465
2-(ethylamino)-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanenitrile
CID 79175533
3,3-dimethyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-2-ol
CID 79170230
2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanenitrile
CID 106588532
1-amino-2-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-2-ol
CID 79171055
2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(propan-2-ylamino)propanamide
CID 79175461
4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxolan-3-amine
CID 79171064
2,2-dimethyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanethioamide
CID 79174883
5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-2-amine
CID 79175495
ethyl 2-amino-2-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanoate
CID 79175280
3-(aminomethyl)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-3-ol
CID 106811396
2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylbutanenitrile
CID 63165286

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanenitrile?
The IUPAC name of 2-amino-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanenitrile (CID 79175534) is 2-amino-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanenitrile.
What is the SMILES notation for 2-amino-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanenitrile?
The canonical SMILES for 2-amino-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanenitrile is CN1C2CCC1CN(CC(C)(N)C#N)CC2.
What is the InChIKey of 2-amino-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanenitrile?
The InChIKey is DVYINKHYPNLUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-12(14,8-13)9-16-6-5-10-3-4-11(7-16)15(10)2/h10-11H,3-7,9,14H2,1-2H3.
What are the key properties of 2-amino-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanenitrile?
2-amino-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanenitrile has a molecular weight of 222.34 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanenitrile is sourced from PubChem (CID 79175534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).