2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanenitrile

C14H28N2O2 — CID 64728036

IUPAC2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanenitrile
SMILESCCCNC(C)(C#N)CC(C)OCCOCCC
InChIInChI=1S/C14H28N2O2/c1-5-7-16-14(4,12-15)11-13(3)18-10-9-17-8-6-2/h13,16H,5-11H2,1-4H3
InChIKeyCEZICBZQGVEVBR-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.49
Rot. Bonds11

About 2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanenitrile

2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanenitrile (PubChem CID 64728036) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanenitrile.

Molecular Properties

Compound Name2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanenitrile
PubChem CID64728036
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanenitrile
SMILESCCCNC(C)(C#N)CC(C)OCCOCCC
InChIInChI=1S/C14H28N2O2/c1-5-7-16-14(4,12-15)11-13(3)18-10-9-17-8-6-2/h13,16H,5-11H2,1-4H3
InChIKeyCEZICBZQGVEVBR-UHFFFAOYSA-N
XLogP2.49
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanenitrile
CID 64726379
2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanoic acid
CID 64720042
2-methyl-4-phenoxy-2-(propylamino)pentanenitrile
CID 64725209
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-2-(propylamino)propanenitrile
CID 104564842
2-(cyclopropylamino)-2-methyl-4-propoxypentanenitrile
CID 64726414
4-(2-ethylbutoxy)-2-methyl-2-(propylamino)butanenitrile
CID 114208522
2-methyl-2-(methylamino)-4-octoxypentanenitrile
CID 64728157
4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile
CID 64726523
4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(propylamino)pentan-1-ol
CID 103181446
4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)butanenitrile
CID 106204201
methyl 2-amino-2-methyl-4-(2-propoxyethoxy)pentanoate
CID 64720266
2-methyl-2-(methylamino)-4-(2-propoxyethoxy)pentanoic acid
CID 64720044

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanenitrile?
The IUPAC name of 2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanenitrile (CID 64728036) is 2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanenitrile.
What is the SMILES notation for 2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanenitrile?
The canonical SMILES for 2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanenitrile is CCCNC(C)(C#N)CC(C)OCCOCCC.
What is the InChIKey of 2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanenitrile?
The InChIKey is CEZICBZQGVEVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-7-16-14(4,12-15)11-13(3)18-10-9-17-8-6-2/h13,16H,5-11H2,1-4H3.
What are the key properties of 2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanenitrile?
2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanenitrile has a molecular weight of 256.39 g/mol, XLogP of 2.49, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanenitrile is sourced from PubChem (CID 64728036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).