7-amino-N-(5-hydroxypentyl)-N-methylheptanamide

C13H28N2O2 — CID 107199281

IUPAC7-amino-N-(5-hydroxypentyl)-N-methylheptanamide
SMILESCN(CCCCCO)C(=O)CCCCCCN
InChIInChI=1S/C13H28N2O2/c1-15(11-7-4-8-12-16)13(17)9-5-2-3-6-10-14/h16H,2-12,14H2,1H3
InChIKeyXEEFCDUIMYCTEF-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.52
Rot. Bonds11

About 7-amino-N-(5-hydroxypentyl)-N-methylheptanamide

7-amino-N-(5-hydroxypentyl)-N-methylheptanamide (PubChem CID 107199281) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 7-amino-N-(5-hydroxypentyl)-N-methylheptanamide.

Molecular Properties

Compound Name7-amino-N-(5-hydroxypentyl)-N-methylheptanamide
PubChem CID107199281
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name7-amino-N-(5-hydroxypentyl)-N-methylheptanamide
SMILESCN(CCCCCO)C(=O)CCCCCCN
InChIInChI=1S/C13H28N2O2/c1-15(11-7-4-8-12-16)13(17)9-5-2-3-6-10-14/h16H,2-12,14H2,1H3
InChIKeyXEEFCDUIMYCTEF-UHFFFAOYSA-N
XLogP1.52
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.52
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

5-hydroxy-N-(3-hydroxypropyl)-N-methylpentanamide
CID 139993140
N-(5-hydroxypentyl)-N-methyldodecanamide
CID 107201995
4-[6-aminohexanoyl(methyl)amino]butanoic acid
CID 61160590
5-bromo-N-(5-hydroxypentyl)-N-methylpentanamide
CID 107910777
N-(3-aminopropyl)-N-methylheptanamide
CID 115737512
N-(3-aminopropyl)-N-methyloctanamide
CID 43125160
N-(3-aminopropyl)-N-methyldecanamide
CID 65447774
N-(3-aminopropyl)-3-[bis(2-hydroxyethyl)amino]-N-methylpropanamide
CID 61244464
N-(5-hydroxypentyl)-N-methylbutanamide
CID 107201974
N-(5-hydroxypentyl)-N-methylhept-6-ynamide
CID 107300861
N-(3-hydroxypropyl)-N-methyldecanamide
CID 59366231
3-bromo-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107198834

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(5-hydroxypentyl)-N-methylheptanamide?
The IUPAC name of 7-amino-N-(5-hydroxypentyl)-N-methylheptanamide (CID 107199281) is 7-amino-N-(5-hydroxypentyl)-N-methylheptanamide.
What is the SMILES notation for 7-amino-N-(5-hydroxypentyl)-N-methylheptanamide?
The canonical SMILES for 7-amino-N-(5-hydroxypentyl)-N-methylheptanamide is CN(CCCCCO)C(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-(5-hydroxypentyl)-N-methylheptanamide?
The InChIKey is XEEFCDUIMYCTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-15(11-7-4-8-12-16)13(17)9-5-2-3-6-10-14/h16H,2-12,14H2,1H3.
What are the key properties of 7-amino-N-(5-hydroxypentyl)-N-methylheptanamide?
7-amino-N-(5-hydroxypentyl)-N-methylheptanamide has a molecular weight of 244.38 g/mol, XLogP of 1.52, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(5-hydroxypentyl)-N-methylheptanamide is sourced from PubChem (CID 107199281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).