2-methyl-2-(methylamino)-4-[methyl(pentyl)amino]pentanamide

C13H29N3O — CID 64710154

IUPAC2-methyl-2-(methylamino)-4-[methyl(pentyl)amino]pentanamide
SMILESCCCCCN(C)C(C)CC(C)(NC)C(N)=O
InChIInChI=1S/C13H29N3O/c1-6-7-8-9-16(5)11(2)10-13(3,15-4)12(14)17/h11,15H,6-10H2,1-5H3,(H2,14,17)
InChIKeyBECPYPCECFYXPD-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.35
Rot. Bonds9

About 2-methyl-2-(methylamino)-4-[methyl(pentyl)amino]pentanamide

2-methyl-2-(methylamino)-4-[methyl(pentyl)amino]pentanamide (PubChem CID 64710154) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-[methyl(pentyl)amino]pentanamide.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-[methyl(pentyl)amino]pentanamide
PubChem CID64710154
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-methyl-2-(methylamino)-4-[methyl(pentyl)amino]pentanamide
SMILESCCCCCN(C)C(C)CC(C)(NC)C(N)=O
InChIInChI=1S/C13H29N3O/c1-6-7-8-9-16(5)11(2)10-13(3,15-4)12(14)17/h11,15H,6-10H2,1-5H3,(H2,14,17)
InChIKeyBECPYPCECFYXPD-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(methylamino)pentanamide
CID 64704415
2-(cyclopropylamino)-2-methyl-4-[methyl(pentyl)amino]pentanamide
CID 64710348
2-methyl-2-(methylamino)heptanamide
CID 80557436
1-amino-2-methyl-4-[methyl(pentyl)amino]pentan-2-ol
CID 64820212
2-methyl-2-(methylamino)-4-[methyl(pentyl)amino]pentanenitrile
CID 64726076
2-methyl-2-(methylamino)-4-[methyl-(4-methylcyclohexyl)amino]pentanamide
CID 64709356
4-[2-methoxyethyl(methyl)amino]-2-methyl-2-(propylamino)pentanamide
CID 64710690
4-(dibutylamino)-2-(ethylamino)-2-methylpentanamide
CID 64726423
methyl 2-amino-4-[butyl(methyl)amino]-2-methylpentanoate
CID 64725725
4-[2-ethoxyethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanamide
CID 81061737
3-[hexyl(methyl)amino]butanethioamide
CID 63223651
3-[decyl(methyl)amino]butanethioamide
CID 63512531

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-[methyl(pentyl)amino]pentanamide?
The IUPAC name of 2-methyl-2-(methylamino)-4-[methyl(pentyl)amino]pentanamide (CID 64710154) is 2-methyl-2-(methylamino)-4-[methyl(pentyl)amino]pentanamide.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-[methyl(pentyl)amino]pentanamide?
The canonical SMILES for 2-methyl-2-(methylamino)-4-[methyl(pentyl)amino]pentanamide is CCCCCN(C)C(C)CC(C)(NC)C(N)=O.
What is the InChIKey of 2-methyl-2-(methylamino)-4-[methyl(pentyl)amino]pentanamide?
The InChIKey is BECPYPCECFYXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-6-7-8-9-16(5)11(2)10-13(3,15-4)12(14)17/h11,15H,6-10H2,1-5H3,(H2,14,17).
What are the key properties of 2-methyl-2-(methylamino)-4-[methyl(pentyl)amino]pentanamide?
2-methyl-2-(methylamino)-4-[methyl(pentyl)amino]pentanamide has a molecular weight of 243.39 g/mol, XLogP of 1.35, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-[methyl(pentyl)amino]pentanamide is sourced from PubChem (CID 64710154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).