(2R)-1,4-dimethyl-1,4-diazepane-2-carbonitrile

C8H15N3 — CID 98235660

IUPAC(2R)-1,4-dimethyl-1,4-diazepane-2-carbonitrile
SMILESCN1CCCN(C)[C@@H](C#N)C1
InChIInChI=1S/C8H15N3/c1-10-4-3-5-11(2)8(6-9)7-10/h8H,3-5,7H2,1-2H3/t8-/m0/s1
InChIKeyYYISHFQLPFEQOM-QMMMGPOBSA-N
MW153.23 g/mol
LogP0.15
Rot. Bonds

About (2R)-1,4-dimethyl-1,4-diazepane-2-carbonitrile

(2R)-1,4-dimethyl-1,4-diazepane-2-carbonitrile (PubChem CID 98235660) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is (2R)-1,4-dimethyl-1,4-diazepane-2-carbonitrile.

Molecular Properties

Compound Name(2R)-1,4-dimethyl-1,4-diazepane-2-carbonitrile
PubChem CID98235660
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name(2R)-1,4-dimethyl-1,4-diazepane-2-carbonitrile
SMILESCN1CCCN(C)[C@@H](C#N)C1
InChIInChI=1S/C8H15N3/c1-10-4-3-5-11(2)8(6-9)7-10/h8H,3-5,7H2,1-2H3/t8-/m0/s1
InChIKeyYYISHFQLPFEQOM-QMMMGPOBSA-N
XLogP0.15
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dimethyl-1,4-diazepane-2-carbonitrile
CID 71757191
(3R)-1-methylpyrrolidine-3-carbonitrile
CID 67523043
ethane;(2R)-1,2,4-trimethyl-1,4-diazepane
CID 142347964
4-(1-cyanoethyl)-1-methylpiperazine-2-carbonitrile
CID 131067402
CID 177173282
CID 177173282
1-methyl-4-(2-methylpropyl)piperazine-2-carbonitrile
CID 126991367
1-(trideuteriomethyl)aziridine-2-carbonitrile
CID 101289908
4-methyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine-2-carbonitrile
CID 167769676
3-ethynyl-1-methylpiperidine
CID 13266410
(1,4-dimethyl-1,4-diazepan-2-yl)methylhydrazine
CID 130591183
1,4,8,12-tetramethyl-1,4,8,12-tetrazacyclopentadecane
CID 15198794
1,4,7-trimethyl-1,4,7-triazecane
CID 15461213

Frequently Asked Questions

What is the IUPAC name of (2R)-1,4-dimethyl-1,4-diazepane-2-carbonitrile?
The IUPAC name of (2R)-1,4-dimethyl-1,4-diazepane-2-carbonitrile (CID 98235660) is (2R)-1,4-dimethyl-1,4-diazepane-2-carbonitrile.
What is the SMILES notation for (2R)-1,4-dimethyl-1,4-diazepane-2-carbonitrile?
The canonical SMILES for (2R)-1,4-dimethyl-1,4-diazepane-2-carbonitrile is CN1CCCN(C)[C@@H](C#N)C1.
What is the InChIKey of (2R)-1,4-dimethyl-1,4-diazepane-2-carbonitrile?
The InChIKey is YYISHFQLPFEQOM-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15N3/c1-10-4-3-5-11(2)8(6-9)7-10/h8H,3-5,7H2,1-2H3/t8-/m0/s1.
What are the key properties of (2R)-1,4-dimethyl-1,4-diazepane-2-carbonitrile?
(2R)-1,4-dimethyl-1,4-diazepane-2-carbonitrile has a molecular weight of 153.23 g/mol, XLogP of 0.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,4-dimethyl-1,4-diazepane-2-carbonitrile is sourced from PubChem (CID 98235660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).