5-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile

C14H29N3O — CID 55140694

IUPAC5-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile
SMILESCCCNC(C)(C#N)CCCN(C)CCCOC
InChIInChI=1S/C14H29N3O/c1-5-9-16-14(2,13-15)8-6-10-17(3)11-7-12-18-4/h16H,5-12H2,1-4H3
InChIKeyCQQVVGFTXKUHHX-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.02
Rot. Bonds11

About 5-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile

5-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile (PubChem CID 55140694) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 5-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile.

Molecular Properties

Compound Name5-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile
PubChem CID55140694
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name5-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile
SMILESCCCNC(C)(C#N)CCCN(C)CCCOC
InChIInChI=1S/C14H29N3O/c1-5-9-16-14(2,13-15)8-6-10-17(3)11-7-12-18-4/h16H,5-12H2,1-4H3
InChIKeyCQQVVGFTXKUHHX-UHFFFAOYSA-N
XLogP2.02
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile?
The IUPAC name of 5-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile (CID 55140694) is 5-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile.
What is the SMILES notation for 5-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile?
The canonical SMILES for 5-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile is CCCNC(C)(C#N)CCCN(C)CCCOC.
What is the InChIKey of 5-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile?
The InChIKey is CQQVVGFTXKUHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-9-16-14(2,13-15)8-6-10-17(3)11-7-12-18-4/h16H,5-12H2,1-4H3.
What are the key properties of 5-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile?
5-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile has a molecular weight of 255.41 g/mol, XLogP of 2.02, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile is sourced from PubChem (CID 55140694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).