5-amino-N-(4-hydroxybutan-2-yl)pentanamide

C9H20N2O2 — CID 83177679

IUPAC5-amino-N-(4-hydroxybutan-2-yl)pentanamide
SMILESCC(CCO)NC(=O)CCCCN
InChIInChI=1S/C9H20N2O2/c1-8(5-7-12)11-9(13)4-2-3-6-10/h8,12H,2-7,10H2,1H3,(H,11,13)
InChIKeySMUDOVOZLRYAET-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.00
Rot. Bonds7

About 5-amino-N-(4-hydroxybutan-2-yl)pentanamide

5-amino-N-(4-hydroxybutan-2-yl)pentanamide (PubChem CID 83177679) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 5-amino-N-(4-hydroxybutan-2-yl)pentanamide.

Molecular Properties

Compound Name5-amino-N-(4-hydroxybutan-2-yl)pentanamide
PubChem CID83177679
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name5-amino-N-(4-hydroxybutan-2-yl)pentanamide
SMILESCC(CCO)NC(=O)CCCCN
InChIInChI=1S/C9H20N2O2/c1-8(5-7-12)11-9(13)4-2-3-6-10/h8,12H,2-7,10H2,1H3,(H,11,13)
InChIKeySMUDOVOZLRYAET-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-chloro-N-(4-hydroxybutan-2-yl)pentanamide
CID 83177024
N-(6-aminohexan-2-yl)octanamide
CID 123172105
7-amino-N-(5,5-dimethylhexan-2-yl)heptanamide
CID 119796530
6-(5-aminopentanoylamino)-2-methylheptanoic acid
CID 65286275
5-amino-N-(1,4-dihydroxybutyl)pentanamide
CID 90749374
5-amino-N-(4-hydroxy-2-methylbutyl)pentanamide
CID 66090702
7-amino-N-(1-methoxypropan-2-yl)heptanamide
CID 24700699
N-(4-aminobutan-2-yl)octanamide
CID 62087208
4-(2-aminoethyl)-N-(4-hydroxybutan-2-yl)-5,5-dimethylhexanamide
CID 83177791
6-amino-N-[5-(diethylamino)pentan-2-yl]hexanamide
CID 24702267
7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride
CID 119678384
7-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide
CID 79250170

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-hydroxybutan-2-yl)pentanamide?
The IUPAC name of 5-amino-N-(4-hydroxybutan-2-yl)pentanamide (CID 83177679) is 5-amino-N-(4-hydroxybutan-2-yl)pentanamide.
What is the SMILES notation for 5-amino-N-(4-hydroxybutan-2-yl)pentanamide?
The canonical SMILES for 5-amino-N-(4-hydroxybutan-2-yl)pentanamide is CC(CCO)NC(=O)CCCCN.
What is the InChIKey of 5-amino-N-(4-hydroxybutan-2-yl)pentanamide?
The InChIKey is SMUDOVOZLRYAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-8(5-7-12)11-9(13)4-2-3-6-10/h8,12H,2-7,10H2,1H3,(H,11,13).
What are the key properties of 5-amino-N-(4-hydroxybutan-2-yl)pentanamide?
5-amino-N-(4-hydroxybutan-2-yl)pentanamide 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 5-amino-N-(4-hydroxybutan-2-yl)pentanamide is sourced from PubChem (CID 83177679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).