1,3-di(propan-2-yl)-1,3-diazinane-5-carbonitrile

C11H21N3 — CID 13099566

IUPAC1,3-di(propan-2-yl)-1,3-diazinane-5-carbonitrile
SMILESCC(C)N1CC(C#N)CN(C(C)C)C1
InChIInChI=1S/C11H21N3/c1-9(2)13-6-11(5-12)7-14(8-13)10(3)4/h9-11H,6-8H2,1-4H3
InChIKeyNSCCOOSAQONQMD-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.52
Rot. Bonds2

About 1,3-di(propan-2-yl)-1,3-diazinane-5-carbonitrile

1,3-di(propan-2-yl)-1,3-diazinane-5-carbonitrile (PubChem CID 13099566) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)-1,3-diazinane-5-carbonitrile.

Molecular Properties

Compound Name1,3-di(propan-2-yl)-1,3-diazinane-5-carbonitrile
PubChem CID13099566
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1,3-di(propan-2-yl)-1,3-diazinane-5-carbonitrile
SMILESCC(C)N1CC(C#N)CN(C(C)C)C1
InChIInChI=1S/C11H21N3/c1-9(2)13-6-11(5-12)7-14(8-13)10(3)4/h9-11H,6-8H2,1-4H3
InChIKeyNSCCOOSAQONQMD-UHFFFAOYSA-N
XLogP1.52
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-1-propan-2-ylpyrrolidine-3-carbonitrile
CID 83845917
1-[1-[6-(3-hydroxy-1-propan-2-ylazetidin-3-yl)piperidin-2-yl]propan-2-yl]azetidine-3-carbonitrile
CID 129230049
(3R)-3-ethynyl-1-propan-2-ylpyrrolidine
CID 58029510
(3R,4R)-3-hydroxy-1-propan-2-ylpiperidine-4-carbonitrile
CID 177091434
1-(3-methylbutanoyl)azetidine-3-carbonitrile
CID 118034293
(3S)-4-amino-1-propan-2-ylpiperidine-3-carbonitrile
CID 153295477
4-oxo-1-propan-2-ylpiperidine-3-carbonitrile
CID 83845869
5-oxo-1-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-3-carbonitrile
CID 117005786
1-[2-(1-propan-2-ylpiperidin-4-yl)oxypropan-2-yl]piperidine-4-carbonitrile
CID 130288050
4-propan-2-ylcyclohexane-1-carbonitrile
CID 160915372
3-(3-methylbutan-2-yl)-1-propan-2-ylazetidine
CID 130436525
3,4-dimethyl-1-propan-2-ylpyrrolidine
CID 20737893

Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)-1,3-diazinane-5-carbonitrile?
The IUPAC name of 1,3-di(propan-2-yl)-1,3-diazinane-5-carbonitrile (CID 13099566) is 1,3-di(propan-2-yl)-1,3-diazinane-5-carbonitrile.
What is the SMILES notation for 1,3-di(propan-2-yl)-1,3-diazinane-5-carbonitrile?
The canonical SMILES for 1,3-di(propan-2-yl)-1,3-diazinane-5-carbonitrile is CC(C)N1CC(C#N)CN(C(C)C)C1.
What is the InChIKey of 1,3-di(propan-2-yl)-1,3-diazinane-5-carbonitrile?
The InChIKey is NSCCOOSAQONQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-9(2)13-6-11(5-12)7-14(8-13)10(3)4/h9-11H,6-8H2,1-4H3.
What are the key properties of 1,3-di(propan-2-yl)-1,3-diazinane-5-carbonitrile?
1,3-di(propan-2-yl)-1,3-diazinane-5-carbonitrile has a molecular weight of 195.31 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)-1,3-diazinane-5-carbonitrile is sourced from PubChem (CID 13099566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).