(2R)-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]amino]-2-methylhexanenitrile

C19H28N2O2 — CID 134918767

IUPAC(2R)-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]amino]-2-methylhexanenitrile
SMILESCCCC[C@](C)(C#N)N[C@H]1COC(C)(C)O[C@H]1c1ccccc1
InChIInChI=1S/C19H28N2O2/c1-5-6-12-19(4,14-20)21-16-13-22-18(2,3)23-17(16)15-10-8-7-9-11-15/h7-11,16-17,21H,5-6,12-13H2,1-4H3/t16-,17-,19+/m0/s1
InChIKeyYNSOIDYZMOILIN-JENIJYKNSA-N
MW316.44 g/mol
LogP3.94
Rot. Bonds6

About (2R)-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]amino]-2-methylhexanenitrile

(2R)-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]amino]-2-methylhexanenitrile (PubChem CID 134918767) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (2R)-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]amino]-2-methylhexanenitrile.

Molecular Properties

Compound Name(2R)-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]amino]-2-methylhexanenitrile
PubChem CID134918767
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(2R)-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]amino]-2-methylhexanenitrile
SMILESCCCC[C@](C)(C#N)N[C@H]1COC(C)(C)O[C@H]1c1ccccc1
InChIInChI=1S/C19H28N2O2/c1-5-6-12-19(4,14-20)21-16-13-22-18(2,3)23-17(16)15-10-8-7-9-11-15/h7-11,16-17,21H,5-6,12-13H2,1-4H3/t16-,17-,19+/m0/s1
InChIKeyYNSOIDYZMOILIN-JENIJYKNSA-N
XLogP3.94
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]amino]-2-methylhexanenitrile with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]amino]-2-methylhexanenitrile
CID 134870587
(2R)-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]amino]-2-naphthalen-2-ylbutanenitrile
CID 122364102
(4S,5S)-2,2-dimethyl-4-phenyl-N-(trimethylsilylmethyl)-1,3-dioxan-5-amine
CID 15352812
(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[[(1S)-1-phenylethyl]amino]propanenitrile
CID 11601513
methyl (3R)-3-[(R)-cyano-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methylamino]-(furan-2-yl)methyl]heptanoate
CID 134874911
(4R)-2,2-dimethyl-4-phenyl-1,3-dioxolane
CID 11344328
N-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
CID 21046931
1-[(4S,5R)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-naphthalen-1-ylurea
CID 1053006
(4R,5S)-N-benzyl-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypentadecyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 11497779
(2R)-2-amino-N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-(1H-indol-3-yl)-2-methylpropanamide
CID 67892234
(2-chlorophenyl) N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]carbamate
CID 10473775
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-phenylmethoxyhexan-2-amine
CID 102069591

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]amino]-2-methylhexanenitrile?
The IUPAC name of (2R)-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]amino]-2-methylhexanenitrile (CID 134918767) is (2R)-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]amino]-2-methylhexanenitrile.
What is the SMILES notation for (2R)-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]amino]-2-methylhexanenitrile?
The canonical SMILES for (2R)-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]amino]-2-methylhexanenitrile is CCCC[C@](C)(C#N)N[C@H]1COC(C)(C)O[C@H]1c1ccccc1.
What is the InChIKey of (2R)-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]amino]-2-methylhexanenitrile?
The InChIKey is YNSOIDYZMOILIN-JENIJYKNSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-5-6-12-19(4,14-20)21-16-13-22-18(2,3)23-17(16)15-10-8-7-9-11-15/h7-11,16-17,21H,5-6,12-13H2,1-4H3/t16-,17-,19+/m0/s1.
What are the key properties of (2R)-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]amino]-2-methylhexanenitrile?
(2R)-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]amino]-2-methylhexanenitrile has a molecular weight of 316.44 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]amino]-2-methylhexanenitrile is sourced from PubChem (CID 134918767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).