N-(3-hydroxy-2-methylpropyl)pent-4-ynamide

C9H15NO2 — CID 106741596

IUPACN-(3-hydroxy-2-methylpropyl)pent-4-ynamide
SMILESC#CCCC(=O)NCC(C)CO
InChIInChI=1S/C9H15NO2/c1-3-4-5-9(12)10-6-8(2)7-11/h1,8,11H,4-7H2,2H3,(H,10,12)
InChIKeyWAZSFWPAWBJEOT-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.14
Rot. Bonds5

About N-(3-hydroxy-2-methylpropyl)pent-4-ynamide

N-(3-hydroxy-2-methylpropyl)pent-4-ynamide (PubChem CID 106741596) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)pent-4-ynamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)pent-4-ynamide
PubChem CID106741596
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-(3-hydroxy-2-methylpropyl)pent-4-ynamide
SMILESC#CCCC(=O)NCC(C)CO
InChIInChI=1S/C9H15NO2/c1-3-4-5-9(12)10-6-8(2)7-11/h1,8,11H,4-7H2,2H3,(H,10,12)
InChIKeyWAZSFWPAWBJEOT-UHFFFAOYSA-N
XLogP0.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-hydroxy-4-methylpentyl)pent-4-ynamide
CID 106155721
3-acetamido-N-(3-hydroxy-2-methylpropyl)propanamide
CID 65031539
N-(2-cyclopropyl-2-hydroxyethyl)pent-4-ynamide
CID 107358903
N-[2-(2-hydroxyethyl)pentyl]pent-4-ynamide
CID 106115864
ethane;N-(3-hydroxy-2-methylpropyl)propanamide
CID 155720922
2-chloro-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65034129
N-(3-hydroxy-2-methylpropyl)-3-oxobutanamide
CID 65036532
4-(2-aminoethyl)-N-(3-hydroxy-2-methylpropyl)-5-methylhexanamide
CID 65035783
N-(4-hydroxybutyl)pent-4-ynamide
CID 87258816
N-(3-hydroxy-2-methylpropyl)-2-propan-2-ylsulfanylacetamide
CID 65031917
N-(2-aminoethyl)pent-4-ynamide
CID 103840698
methyl N-[2-(pent-4-ynoylamino)ethyl]carbamate
CID 123603019

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)pent-4-ynamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)pent-4-ynamide (CID 106741596) is N-(3-hydroxy-2-methylpropyl)pent-4-ynamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)pent-4-ynamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)pent-4-ynamide is C#CCCC(=O)NCC(C)CO.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)pent-4-ynamide?
The InChIKey is WAZSFWPAWBJEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-4-5-9(12)10-6-8(2)7-11/h1,8,11H,4-7H2,2H3,(H,10,12).
What are the key properties of N-(3-hydroxy-2-methylpropyl)pent-4-ynamide?
N-(3-hydroxy-2-methylpropyl)pent-4-ynamide has a molecular weight of 169.22 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)pent-4-ynamide is sourced from PubChem (CID 106741596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).