3,3,5,5-tetramethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile

C16H28N2O — CID 112682397

IUPAC3,3,5,5-tetramethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile
SMILESCC1(C)CC(C)(C)CC(C#N)(NCC2CCCO2)C1
InChIInChI=1S/C16H28N2O/c1-14(2)9-15(3,4)11-16(10-14,12-17)18-8-13-6-5-7-19-13/h13,18H,5-11H2,1-4H3
InChIKeyQSWSALUBQRPFHG-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.25
Rot. Bonds3

About 3,3,5,5-tetramethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile

3,3,5,5-tetramethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile (PubChem CID 112682397) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile
PubChem CID112682397
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name3,3,5,5-tetramethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile
SMILESCC1(C)CC(C)(C)CC(C#N)(NCC2CCCO2)C1
InChIInChI=1S/C16H28N2O/c1-14(2)9-15(3,4)11-16(10-14,12-17)18-8-13-6-5-7-19-13/h13,18H,5-11H2,1-4H3
InChIKeyQSWSALUBQRPFHG-UHFFFAOYSA-N
XLogP3.25
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-1-(oxolan-2-ylmethylamino)cyclobutane-1-carbonitrile
CID 106822418
2,4,4-trimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile
CID 81321315
[(2S)-oxolan-2-yl]methylcyanamide
CID 87337063
2-methylsulfonyl-1-(oxolan-2-ylmethylamino)cyclopentane-1-carbonitrile
CID 65045063
1-(aminomethyl)-4,4-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 65377148
1-benzyl-3-(oxolan-2-ylmethylamino)pyrrolidine-3-carbonitrile
CID 61005933
5-methyl-1-(oxolan-2-ylmethylamino)-2-propan-2-ylcyclohexane-1-carbonitrile
CID 54887564
3,3,5,5-tetramethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carbonitrile
CID 112682414
3-methyl-N-(oxolan-2-ylmethyl)pyrrolidin-3-amine
CID 107423630
ethane;N-methyl-1-(oxolan-2-yl)methanamine
CID 91079378
1-cyano-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 80598955
N-methoxy-1-(oxan-2-yl)methanamine
CID 60702614

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 3,3,5,5-tetramethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile (CID 112682397) is 3,3,5,5-tetramethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3,3,5,5-tetramethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 3,3,5,5-tetramethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile is CC1(C)CC(C)(C)CC(C#N)(NCC2CCCO2)C1.
What is the InChIKey of 3,3,5,5-tetramethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile?
The InChIKey is QSWSALUBQRPFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-14(2)9-15(3,4)11-16(10-14,12-17)18-8-13-6-5-7-19-13/h13,18H,5-11H2,1-4H3.
What are the key properties of 3,3,5,5-tetramethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile?
3,3,5,5-tetramethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile has a molecular weight of 264.41 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 112682397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).