6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-2,2-dimethylhexanenitrile

C16H30N2O — CID 106709284

IUPAC6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-2,2-dimethylhexanenitrile
SMILESCC1CCCC(CO)(NCCCCC(C)(C)C#N)C1
InChIInChI=1S/C16H30N2O/c1-14-7-6-9-16(11-14,13-19)18-10-5-4-8-15(2,3)12-17/h14,18-19H,4-11,13H2,1-3H3
InChIKeyYODMXGOPDKZUCK-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.24
Rot. Bonds7

About 6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-2,2-dimethylhexanenitrile

6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-2,2-dimethylhexanenitrile (PubChem CID 106709284) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-2,2-dimethylhexanenitrile
PubChem CID106709284
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-2,2-dimethylhexanenitrile
SMILESCC1CCCC(CO)(NCCCCC(C)(C)C#N)C1
InChIInChI=1S/C16H30N2O/c1-14-7-6-9-16(11-14,13-19)18-10-5-4-8-15(2,3)12-17/h14,18-19H,4-11,13H2,1-3H3
InChIKeyYODMXGOPDKZUCK-UHFFFAOYSA-N
XLogP3.24
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-2,2-dimethylhexanenitrile
CID 106709283
2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetonitrile
CID 62553552
[1-(2,2-dimethylpropylamino)-3-methylcyclohexyl]methanol
CID 62553342
[3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol
CID 55086844
methyl 4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]butanoate
CID 62552200
[1-(2-tert-butylsulfonylethylamino)-3-methylcyclohexyl]methanol
CID 106723632
[3-methyl-1-[3-(oxolan-2-yl)propylamino]cyclohexyl]methanol
CID 65163745
2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetic acid
CID 55209144
1-(3-hydroxypropylamino)-3-methylcyclohexane-1-carbonitrile
CID 62586972
[1-[(4-tert-butylphenyl)methylamino]-3-methylcyclohexyl]methanol
CID 63476984
[3-methyl-1-(3-phenylprop-2-ynylamino)cyclohexyl]methanol
CID 62551147
2,2-dimethyl-6-[2-(3-methylcyclohexyl)ethylamino]hexanenitrile
CID 106709352

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-2,2-dimethylhexanenitrile?
The IUPAC name of 6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-2,2-dimethylhexanenitrile (CID 106709284) is 6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-2,2-dimethylhexanenitrile.
What is the SMILES notation for 6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-2,2-dimethylhexanenitrile?
The canonical SMILES for 6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-2,2-dimethylhexanenitrile is CC1CCCC(CO)(NCCCCC(C)(C)C#N)C1.
What is the InChIKey of 6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-2,2-dimethylhexanenitrile?
The InChIKey is YODMXGOPDKZUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-14-7-6-9-16(11-14,13-19)18-10-5-4-8-15(2,3)12-17/h14,18-19H,4-11,13H2,1-3H3.
What are the key properties of 6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-2,2-dimethylhexanenitrile?
6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-2,2-dimethylhexanenitrile has a molecular weight of 266.43 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-2,2-dimethylhexanenitrile is sourced from PubChem (CID 106709284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).