N-(2-hydroxy-2,4-dimethylpentyl)formamide

C8H17NO2 — CID 66180858

IUPACN-(2-hydroxy-2,4-dimethylpentyl)formamide
SMILESCC(C)CC(C)(O)CNC=O
InChIInChI=1S/C8H17NO2/c1-7(2)4-8(3,11)5-9-6-10/h6-7,11H,4-5H2,1-3H3,(H,9,10)
InChIKeyKKRBYOGCQLXJRG-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.53
Rot. Bonds5

About N-(2-hydroxy-2,4-dimethylpentyl)formamide

N-(2-hydroxy-2,4-dimethylpentyl)formamide (PubChem CID 66180858) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-(2-hydroxy-2,4-dimethylpentyl)formamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,4-dimethylpentyl)formamide
PubChem CID66180858
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-(2-hydroxy-2,4-dimethylpentyl)formamide
SMILESCC(C)CC(C)(O)CNC=O
InChIInChI=1S/C8H17NO2/c1-7(2)4-8(3,11)5-9-6-10/h6-7,11H,4-5H2,1-3H3,(H,9,10)
InChIKeyKKRBYOGCQLXJRG-UHFFFAOYSA-N
XLogP0.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)formamide?
The IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)formamide (CID 66180858) is N-(2-hydroxy-2,4-dimethylpentyl)formamide.
What is the SMILES notation for N-(2-hydroxy-2,4-dimethylpentyl)formamide?
The canonical SMILES for N-(2-hydroxy-2,4-dimethylpentyl)formamide is CC(C)CC(C)(O)CNC=O.
What is the InChIKey of N-(2-hydroxy-2,4-dimethylpentyl)formamide?
The InChIKey is KKRBYOGCQLXJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-7(2)4-8(3,11)5-9-6-10/h6-7,11H,4-5H2,1-3H3,(H,9,10).
What are the key properties of N-(2-hydroxy-2,4-dimethylpentyl)formamide?
N-(2-hydroxy-2,4-dimethylpentyl)formamide has a molecular weight of 159.23 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,4-dimethylpentyl)formamide is sourced from PubChem (CID 66180858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).