2-[methoxy(1-phenylethyl)amino]nonanenitrile

C18H28N2O — CID 134943871

IUPAC2-[methoxy(1-phenylethyl)amino]nonanenitrile
SMILESCCCCCCCC(C#N)N(OC)C(C)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-4-5-6-7-11-14-18(15-19)20(21-3)16(2)17-12-9-8-10-13-17/h8-10,12-13,16,18H,4-7,11,14H2,1-3H3
InChIKeyMWXNWPHKZMEBNY-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.86
Rot. Bonds10

About 2-[methoxy(1-phenylethyl)amino]nonanenitrile

2-[methoxy(1-phenylethyl)amino]nonanenitrile (PubChem CID 134943871) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-[methoxy(1-phenylethyl)amino]nonanenitrile.

Molecular Properties

Compound Name2-[methoxy(1-phenylethyl)amino]nonanenitrile
PubChem CID134943871
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name2-[methoxy(1-phenylethyl)amino]nonanenitrile
SMILESCCCCCCCC(C#N)N(OC)C(C)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-4-5-6-7-11-14-18(15-19)20(21-3)16(2)17-12-9-8-10-13-17/h8-10,12-13,16,18H,4-7,11,14H2,1-3H3
InChIKeyMWXNWPHKZMEBNY-UHFFFAOYSA-N
XLogP4.86
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

827-36-1
CID 13227
2-Phenyl-2-piperidinoacetonitrile
CID 21989
alpha-(Diethylamino)benzeneacetonitrile
CID 21177
2,2,5-Trimethyl-4-phenyl-3-azahexane-3-nitroxide
CID 10900145
Oxifentorex
CID 176171
Ammonium, (alpha-cyanobenzyl)triethyl-, bromide
CID 46917
Ammonium, (alpha-cyanobenzyl)diethylmethyl-, iodide
CID 46935
3-((2-Fluorobenzyl)(methyl)amino)butanenitrile
CID 61360595
2-[Bis(2-hydroxyethyl)amino]-2-phenylacetonitrile
CID 264709
Hydroxylamine, methyl-(1-phenylethyl)-
CID 570702
2-Piperidinecarbonitrile, 1-(phenylmethyl)-
CID 10878182
(Isopropylamino)(phenyl)acetonitrile
CID 12018907

Frequently Asked Questions

What is the IUPAC name of 2-[methoxy(1-phenylethyl)amino]nonanenitrile?
The IUPAC name of 2-[methoxy(1-phenylethyl)amino]nonanenitrile (CID 134943871) is 2-[methoxy(1-phenylethyl)amino]nonanenitrile.
What is the SMILES notation for 2-[methoxy(1-phenylethyl)amino]nonanenitrile?
The canonical SMILES for 2-[methoxy(1-phenylethyl)amino]nonanenitrile is CCCCCCCC(C#N)N(OC)C(C)c1ccccc1.
What is the InChIKey of 2-[methoxy(1-phenylethyl)amino]nonanenitrile?
The InChIKey is MWXNWPHKZMEBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-5-6-7-11-14-18(15-19)20(21-3)16(2)17-12-9-8-10-13-17/h8-10,12-13,16,18H,4-7,11,14H2,1-3H3.
What are the key properties of 2-[methoxy(1-phenylethyl)amino]nonanenitrile?
2-[methoxy(1-phenylethyl)amino]nonanenitrile has a molecular weight of 288.43 g/mol, XLogP of 4.86, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(1-phenylethyl)amino]nonanenitrile is sourced from PubChem (CID 134943871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).