5-(ethylamino)-2,2-dimethylpentanenitrile

C9H18N2 — CID 65256305

IUPAC5-(ethylamino)-2,2-dimethylpentanenitrile
SMILESCCNCCCC(C)(C)C#N
InChIInChI=1S/C9H18N2/c1-4-11-7-5-6-9(2,3)8-10/h11H,4-7H2,1-3H3
InChIKeySHYCTLNYUIYAQA-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.93
Rot. Bonds5

About 5-(ethylamino)-2,2-dimethylpentanenitrile

5-(ethylamino)-2,2-dimethylpentanenitrile (PubChem CID 65256305) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 5-(ethylamino)-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-(ethylamino)-2,2-dimethylpentanenitrile
PubChem CID65256305
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name5-(ethylamino)-2,2-dimethylpentanenitrile
SMILESCCNCCCC(C)(C)C#N
InChIInChI=1S/C9H18N2/c1-4-11-7-5-6-9(2,3)8-10/h11H,4-7H2,1-3H3
InChIKeySHYCTLNYUIYAQA-UHFFFAOYSA-N
XLogP1.93
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3-ethoxypropylamino)-2,2-dimethylpentanenitrile
CID 65256696
5-[2-[ethyl(propyl)amino]ethylamino]-2,2-dimethylpentanenitrile
CID 114133524
6-(2,2-dimethylbutylamino)-2,2-dimethylhexanenitrile
CID 106709688
4-(hexylamino)-2,2-dimethylbutanenitrile
CID 65253637
2-[(4-cyano-4-methylpentyl)amino]acetamide
CID 65256262
6-(2-ethylbutylamino)-2,2-dimethylhexanenitrile
CID 106709649
2,2-dimethyl-5-(2-methylsulfonylethylamino)pentanenitrile
CID 65253811
3-[(4-cyano-4-methylpentyl)amino]-N,N-diethylpropanamide
CID 113411328
5-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-dimethylpentanenitrile
CID 83121516
5-[2-(2-hydroxyethoxy)ethylamino]-2,2-dimethylpentanenitrile
CID 65254266
5-[(4-hydroxycyclohexyl)methylamino]-2,2-dimethylpentanenitrile
CID 114147881
6-(2-cyclopropylethylamino)-2,2-dimethylhexanenitrile
CID 106709405

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-2,2-dimethylpentanenitrile?
The IUPAC name of 5-(ethylamino)-2,2-dimethylpentanenitrile (CID 65256305) is 5-(ethylamino)-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-(ethylamino)-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-(ethylamino)-2,2-dimethylpentanenitrile is CCNCCCC(C)(C)C#N.
What is the InChIKey of 5-(ethylamino)-2,2-dimethylpentanenitrile?
The InChIKey is SHYCTLNYUIYAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-11-7-5-6-9(2,3)8-10/h11H,4-7H2,1-3H3.
What are the key properties of 5-(ethylamino)-2,2-dimethylpentanenitrile?
5-(ethylamino)-2,2-dimethylpentanenitrile has a molecular weight of 154.26 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-2,2-dimethylpentanenitrile is sourced from PubChem (CID 65256305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).