N-(4-aminobutyl)-4-hydroxypentanamide

C9H20N2O2 — CID 79203295

IUPACN-(4-aminobutyl)-4-hydroxypentanamide
SMILESCC(O)CCC(=O)NCCCCN
InChIInChI=1S/C9H20N2O2/c1-8(12)4-5-9(13)11-7-3-2-6-10/h8,12H,2-7,10H2,1H3,(H,11,13)
InChIKeySTALUIGYQYWIPV-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.00
Rot. Bonds7

About N-(4-aminobutyl)-4-hydroxypentanamide

N-(4-aminobutyl)-4-hydroxypentanamide (PubChem CID 79203295) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-(4-aminobutyl)-4-hydroxypentanamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-4-hydroxypentanamide
PubChem CID79203295
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC NameN-(4-aminobutyl)-4-hydroxypentanamide
SMILESCC(O)CCC(=O)NCCCCN
InChIInChI=1S/C9H20N2O2/c1-8(12)4-5-9(13)11-7-3-2-6-10/h8,12H,2-7,10H2,1H3,(H,11,13)
InChIKeySTALUIGYQYWIPV-UHFFFAOYSA-N
XLogP0.00
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.00
H-Bond Donors ≤ 53
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-[4-(5-hydroxyhexanoylamino)butyl]hexanamide
CID 101050420
3-amino-N-[(3S)-3-hydroxybutyl]propanamide
CID 86323935
N-(5-aminopentyl)-N'-(3-sulfanylbutyl)butanediamide
CID 155107995
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
6-amino-N-[6-oxo-6-(propan-2-ylamino)hexyl]hexanamide
CID 102236503
6-amino-N-(5-amino-5-oxopentyl)hexanamide
CID 106235898
5-amino-N-(3-aminopropyl)hexanamide
CID 82851276
4-hydroxy-N-(3-methylbutyl)pentanamide
CID 79001671
N'-(6-aminohexyl)-N-methylbutanediamide
CID 155220266
N-(9-aminononyl)nonanamide
CID 154091260

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-4-hydroxypentanamide?
The IUPAC name of N-(4-aminobutyl)-4-hydroxypentanamide (CID 79203295) is N-(4-aminobutyl)-4-hydroxypentanamide.
What is the SMILES notation for N-(4-aminobutyl)-4-hydroxypentanamide?
The canonical SMILES for N-(4-aminobutyl)-4-hydroxypentanamide is CC(O)CCC(=O)NCCCCN.
What is the InChIKey of N-(4-aminobutyl)-4-hydroxypentanamide?
The InChIKey is STALUIGYQYWIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-8(12)4-5-9(13)11-7-3-2-6-10/h8,12H,2-7,10H2,1H3,(H,11,13).
What are the key properties of N-(4-aminobutyl)-4-hydroxypentanamide?
N-(4-aminobutyl)-4-hydroxypentanamide has a molecular weight of 188.27 g/mol, XLogP of 0.00, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-4-hydroxypentanamide is sourced from PubChem (CID 79203295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).