4-(2-ethylbutoxy)-2-methyl-2-(propylamino)butanenitrile

C14H28N2O — CID 114208522

IUPAC4-(2-ethylbutoxy)-2-methyl-2-(propylamino)butanenitrile
SMILESCCCNC(C)(C#N)CCOCC(CC)CC
InChIInChI=1S/C14H28N2O/c1-5-9-16-14(4,12-15)8-10-17-11-13(6-2)7-3/h13,16H,5-11H2,1-4H3
InChIKeyQHDLKEUKDPSQHQ-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.11
Rot. Bonds10

About 4-(2-ethylbutoxy)-2-methyl-2-(propylamino)butanenitrile

4-(2-ethylbutoxy)-2-methyl-2-(propylamino)butanenitrile (PubChem CID 114208522) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-(2-ethylbutoxy)-2-methyl-2-(propylamino)butanenitrile.

Molecular Properties

Compound Name4-(2-ethylbutoxy)-2-methyl-2-(propylamino)butanenitrile
PubChem CID114208522
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-(2-ethylbutoxy)-2-methyl-2-(propylamino)butanenitrile
SMILESCCCNC(C)(C#N)CCOCC(CC)CC
InChIInChI=1S/C14H28N2O/c1-5-9-16-14(4,12-15)8-10-17-11-13(6-2)7-3/h13,16H,5-11H2,1-4H3
InChIKeyQHDLKEUKDPSQHQ-UHFFFAOYSA-N
XLogP3.11
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)butanenitrile
CID 106204201
5-(2-ethylbutoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 114208529
2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanenitrile
CID 64728036
2-(2-methoxyethylamino)-2-methylpentanenitrile
CID 62541325
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-2-(propylamino)propanenitrile
CID 104564842
2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanenitrile
CID 64726379
2-(ethylamino)-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutanenitrile
CID 104564895
6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(propylamino)hexanenitrile
CID 82960130
2-(ethylamino)-2-methyl-6-(2-methylpentoxy)hexanenitrile
CID 103284800
6-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)hexanenitrile
CID 63007904
4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propylamino)butanenitrile
CID 64854867
5-(3,3-dimethylbutoxy)-2-(ethylamino)-2-methylpentanenitrile
CID 66225414

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbutoxy)-2-methyl-2-(propylamino)butanenitrile?
The IUPAC name of 4-(2-ethylbutoxy)-2-methyl-2-(propylamino)butanenitrile (CID 114208522) is 4-(2-ethylbutoxy)-2-methyl-2-(propylamino)butanenitrile.
What is the SMILES notation for 4-(2-ethylbutoxy)-2-methyl-2-(propylamino)butanenitrile?
The canonical SMILES for 4-(2-ethylbutoxy)-2-methyl-2-(propylamino)butanenitrile is CCCNC(C)(C#N)CCOCC(CC)CC.
What is the InChIKey of 4-(2-ethylbutoxy)-2-methyl-2-(propylamino)butanenitrile?
The InChIKey is QHDLKEUKDPSQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-9-16-14(4,12-15)8-10-17-11-13(6-2)7-3/h13,16H,5-11H2,1-4H3.
What are the key properties of 4-(2-ethylbutoxy)-2-methyl-2-(propylamino)butanenitrile?
4-(2-ethylbutoxy)-2-methyl-2-(propylamino)butanenitrile has a molecular weight of 240.39 g/mol, XLogP of 3.11, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbutoxy)-2-methyl-2-(propylamino)butanenitrile is sourced from PubChem (CID 114208522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).