5-(3-ethoxypropylamino)-2,2-dimethylpentanenitrile

C12H24N2O — CID 65256696

IUPAC5-(3-ethoxypropylamino)-2,2-dimethylpentanenitrile
SMILESCCOCCCNCCCC(C)(C)C#N
InChIInChI=1S/C12H24N2O/c1-4-15-10-6-9-14-8-5-7-12(2,3)11-13/h14H,4-10H2,1-3H3
InChIKeyCXKSJNNLQBSWSN-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.33
Rot. Bonds9

About 5-(3-ethoxypropylamino)-2,2-dimethylpentanenitrile

5-(3-ethoxypropylamino)-2,2-dimethylpentanenitrile (PubChem CID 65256696) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 5-(3-ethoxypropylamino)-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-(3-ethoxypropylamino)-2,2-dimethylpentanenitrile
PubChem CID65256696
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name5-(3-ethoxypropylamino)-2,2-dimethylpentanenitrile
SMILESCCOCCCNCCCC(C)(C)C#N
InChIInChI=1S/C12H24N2O/c1-4-15-10-6-9-14-8-5-7-12(2,3)11-13/h14H,4-10H2,1-3H3
InChIKeyCXKSJNNLQBSWSN-UHFFFAOYSA-N
XLogP2.33
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.33
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

5-(ethylamino)-2,2-dimethylpentanenitrile
CID 65256305
5-[2-(2-hydroxyethoxy)ethylamino]-2,2-dimethylpentanenitrile
CID 65254266
N-(3-ethoxypropyl)-4,4,4-trifluorobutan-1-amine
CID 115513495
N-(3-ethoxypropyl)-3-methoxy-3-methylbutan-1-amine
CID 103033107
2,2-dimethyl-6-propoxyhexanenitrile
CID 106710437
2,2-dimethyl-6-[2-(methylamino)ethoxy]hexanenitrile
CID 106713108
3-[(4-cyano-4-methylpentyl)amino]-N,N-diethylpropanamide
CID 113411328
5-[2-[ethyl(propyl)amino]ethylamino]-2,2-dimethylpentanenitrile
CID 114133524
4-(hexylamino)-2,2-dimethylbutanenitrile
CID 65253637
6-(2-cyclopropylethylamino)-2,2-dimethylhexanenitrile
CID 106709405
2,2-dimethyl-5-(2-methylsulfonylethylamino)pentanenitrile
CID 65253811
5-[(4-hydroxycyclohexyl)methylamino]-2,2-dimethylpentanenitrile
CID 114147881

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxypropylamino)-2,2-dimethylpentanenitrile?
The IUPAC name of 5-(3-ethoxypropylamino)-2,2-dimethylpentanenitrile (CID 65256696) is 5-(3-ethoxypropylamino)-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-(3-ethoxypropylamino)-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-(3-ethoxypropylamino)-2,2-dimethylpentanenitrile is CCOCCCNCCCC(C)(C)C#N.
What is the InChIKey of 5-(3-ethoxypropylamino)-2,2-dimethylpentanenitrile?
The InChIKey is CXKSJNNLQBSWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-15-10-6-9-14-8-5-7-12(2,3)11-13/h14H,4-10H2,1-3H3.
What are the key properties of 5-(3-ethoxypropylamino)-2,2-dimethylpentanenitrile?
5-(3-ethoxypropylamino)-2,2-dimethylpentanenitrile has a molecular weight of 212.34 g/mol, XLogP of 2.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxypropylamino)-2,2-dimethylpentanenitrile is sourced from PubChem (CID 65256696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).