4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile

C14H29N3O — CID 64726523

IUPAC4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile
SMILESCCCNC(C)(C#N)CC(C)N(C)CCCOC
InChIInChI=1S/C14H29N3O/c1-6-8-16-14(3,12-15)11-13(2)17(4)9-7-10-18-5/h13,16H,6-11H2,1-5H3
InChIKeyCBDWYYYJZHQUST-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.02
Rot. Bonds10

About 4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile

4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile (PubChem CID 64726523) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile.

Molecular Properties

Compound Name4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile
PubChem CID64726523
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile
SMILESCCCNC(C)(C#N)CC(C)N(C)CCCOC
InChIInChI=1S/C14H29N3O/c1-6-8-16-14(3,12-15)11-13(2)17(4)9-7-10-18-5/h13,16H,6-11H2,1-5H3
InChIKeyCBDWYYYJZHQUST-UHFFFAOYSA-N
XLogP2.02
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
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'}

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Related Compounds

6-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)hexanenitrile
CID 63007904
6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(propylamino)hexanenitrile
CID 82960130
2-methyl-2-(methylamino)-4-[methyl(pentyl)amino]pentanenitrile
CID 64726076
2-methyl-2-(methylamino)-4-[methyl(propyl)amino]pentanenitrile
CID 64727068
2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)pentanenitrile
CID 79314860
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-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)pentanenitrile
CID 64727327
methyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate
CID 64703757
4-[cyclopropyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile
CID 64727667
2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanenitrile
CID 64728036
4-[2-methoxyethyl(methyl)amino]-2-methyl-2-(propylamino)pentanamide
CID 64710690

Frequently Asked Questions

What is the IUPAC name of 4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile?
The IUPAC name of 4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile (CID 64726523) is 4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile.
What is the SMILES notation for 4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile?
The canonical SMILES for 4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile is CCCNC(C)(C#N)CC(C)N(C)CCCOC.
What is the InChIKey of 4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile?
The InChIKey is CBDWYYYJZHQUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-6-8-16-14(3,12-15)11-13(2)17(4)9-7-10-18-5/h13,16H,6-11H2,1-5H3.
What are the key properties of 4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile?
4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile has a molecular weight of 255.41 g/mol, XLogP of 2.02, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile is sourced from PubChem (CID 64726523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).