2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]acetonitrile

C23H30N2O — CID 86668419

IUPAC2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]acetonitrile
SMILESCC(C)(C)C1CCC(Oc2ccc3cc(CNCC#N)ccc3c2)CC1
InChIInChI=1S/C23H30N2O/c1-23(2,3)20-7-10-21(11-8-20)26-22-9-6-18-14-17(16-25-13-12-24)4-5-19(18)15-22/h4-6,9,14-15,20-21,25H,7-8,10-11,13,16H2,1-3H3
InChIKeyGUWFDMQSNAOXEV-UHFFFAOYSA-N
MW350.51 g/mol
LogP5.44
Rot. Bonds5

About 2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]acetonitrile

2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]acetonitrile (PubChem CID 86668419) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]acetonitrile.

Molecular Properties

Compound Name2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]acetonitrile
PubChem CID86668419
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]acetonitrile
SMILESCC(C)(C)C1CCC(Oc2ccc3cc(CNCC#N)ccc3c2)CC1
InChIInChI=1S/C23H30N2O/c1-23(2,3)20-7-10-21(11-8-20)26-22-9-6-18-14-17(16-25-13-12-24)4-5-19(18)15-22/h4-6,9,14-15,20-21,25H,7-8,10-11,13,16H2,1-3H3
InChIKeyGUWFDMQSNAOXEV-UHFFFAOYSA-N
XLogP5.44
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-aminoacetonitrile;6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]acetonitrile;methane
CID 159584625
2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]ethylphosphonic acid
CID 51002113
3-aminopropanenitrile;6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;3-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]propanenitrile;methane
CID 158643933
N-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]-2-diethoxyphosphorylethanamine
CID 86668415
propyl 1-[[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]methyl]cyclopropane-1-carboxylate
CID 130356385
3-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]hexanoic acid
CID 66926337
6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;ethyl 3-amino-2,2-dimethylpropanoate;ethyl 3-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]-2,2-dimethylpropanoate
CID 158248181
3-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl-propylamino]propanoic acid;methyl 3-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl-propylamino]propanoate
CID 160732976
ethyl 4-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]butanoate
CID 157482882
2-(4-tert-butylcyclohexyl)oxy-6-(2,3-dimethylbutan-2-yl)naphthalene
CID 123570731
2-[(6-methylnaphthalen-2-yl)methylamino]acetonitrile
CID 115131051
N-[[6-(4-tert-butylcyclohexyl)oxy-8-methylnaphthalen-2-yl]methyl]-3-ethoxybut-3-en-1-amine
CID 88973752

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]acetonitrile?
The IUPAC name of 2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]acetonitrile (CID 86668419) is 2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]acetonitrile.
What is the SMILES notation for 2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]acetonitrile?
The canonical SMILES for 2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]acetonitrile is CC(C)(C)C1CCC(Oc2ccc3cc(CNCC#N)ccc3c2)CC1.
What is the InChIKey of 2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]acetonitrile?
The InChIKey is GUWFDMQSNAOXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-23(2,3)20-7-10-21(11-8-20)26-22-9-6-18-14-17(16-25-13-12-24)4-5-19(18)15-22/h4-6,9,14-15,20-21,25H,7-8,10-11,13,16H2,1-3H3.
What are the key properties of 2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]acetonitrile?
2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]acetonitrile has a molecular weight of 350.51 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]acetonitrile is sourced from PubChem (CID 86668419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).