5-amino-N-(5-hydroxypentyl)-N,4-dimethylpentanamide

C12H26N2O2 — CID 107199347

IUPAC5-amino-N-(5-hydroxypentyl)-N,4-dimethylpentanamide
SMILESCC(CN)CCC(=O)N(C)CCCCCO
InChIInChI=1S/C12H26N2O2/c1-11(10-13)6-7-12(16)14(2)8-4-3-5-9-15/h11,15H,3-10,13H2,1-2H3
InChIKeyOWXYXDUXJHHFDL-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.98
Rot. Bonds9

About 5-amino-N-(5-hydroxypentyl)-N,4-dimethylpentanamide

5-amino-N-(5-hydroxypentyl)-N,4-dimethylpentanamide (PubChem CID 107199347) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 5-amino-N-(5-hydroxypentyl)-N,4-dimethylpentanamide.

Molecular Properties

Compound Name5-amino-N-(5-hydroxypentyl)-N,4-dimethylpentanamide
PubChem CID107199347
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name5-amino-N-(5-hydroxypentyl)-N,4-dimethylpentanamide
SMILESCC(CN)CCC(=O)N(C)CCCCCO
InChIInChI=1S/C12H26N2O2/c1-11(10-13)6-7-12(16)14(2)8-4-3-5-9-15/h11,15H,3-10,13H2,1-2H3
InChIKeyOWXYXDUXJHHFDL-UHFFFAOYSA-N
XLogP0.98
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.98
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

7-amino-N-(5-hydroxypentyl)-N-methylheptanamide
CID 107199281
5-amino-N-(2-cyanoethyl)-N,4-dimethylpentanamide
CID 82017217
N-(5-hydroxypentyl)-N-methylbutanamide
CID 107201974
5-amino-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 82012105
3-bromo-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107198834
5-hydroxy-N-(3-hydroxypropyl)-N-methylpentanamide
CID 139993140
N-(5-hydroxypentyl)-N-methyldodecanamide
CID 107201995
8-amino-7-methyloctan-1-ol
CID 139899445
4-amino-N-(5-hydroxypentyl)-N,4-dimethylpentanamide
CID 107199292
(2S)-2-amino-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107199234
5-bromo-N-(5-hydroxypentyl)-N-methylpentanamide
CID 107910777
5-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,4-dimethylpentanamide
CID 82013924

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-hydroxypentyl)-N,4-dimethylpentanamide?
The IUPAC name of 5-amino-N-(5-hydroxypentyl)-N,4-dimethylpentanamide (CID 107199347) is 5-amino-N-(5-hydroxypentyl)-N,4-dimethylpentanamide.
What is the SMILES notation for 5-amino-N-(5-hydroxypentyl)-N,4-dimethylpentanamide?
The canonical SMILES for 5-amino-N-(5-hydroxypentyl)-N,4-dimethylpentanamide is CC(CN)CCC(=O)N(C)CCCCCO.
What is the InChIKey of 5-amino-N-(5-hydroxypentyl)-N,4-dimethylpentanamide?
The InChIKey is OWXYXDUXJHHFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-11(10-13)6-7-12(16)14(2)8-4-3-5-9-15/h11,15H,3-10,13H2,1-2H3.
What are the key properties of 5-amino-N-(5-hydroxypentyl)-N,4-dimethylpentanamide?
5-amino-N-(5-hydroxypentyl)-N,4-dimethylpentanamide has a molecular weight of 230.35 g/mol, XLogP of 0.98, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-hydroxypentyl)-N,4-dimethylpentanamide is sourced from PubChem (CID 107199347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).