N-(2-hydroxy-3,3-dimethylbutyl)formamide

C7H15NO2 — CID 130752227

IUPACN-(2-hydroxy-3,3-dimethylbutyl)formamide
SMILESCC(C)(C)C(O)CNC=O
InChIInChI=1S/C7H15NO2/c1-7(2,3)6(10)4-8-5-9/h5-6,10H,4H2,1-3H3,(H,8,9)
InChIKeyCSDYSUGCWSLYPT-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.14
Rot. Bonds3

About N-(2-hydroxy-3,3-dimethylbutyl)formamide

N-(2-hydroxy-3,3-dimethylbutyl)formamide (PubChem CID 130752227) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-(2-hydroxy-3,3-dimethylbutyl)formamide.

Molecular Properties

Compound NameN-(2-hydroxy-3,3-dimethylbutyl)formamide
PubChem CID130752227
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-(2-hydroxy-3,3-dimethylbutyl)formamide
SMILESCC(C)(C)C(O)CNC=O
InChIInChI=1S/C7H15NO2/c1-7(2,3)6(10)4-8-5-9/h5-6,10H,4H2,1-3H3,(H,8,9)
InChIKeyCSDYSUGCWSLYPT-UHFFFAOYSA-N
XLogP0.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-1-(methylamino)butan-2-ol
CID 15635078
1-(tert-butylamino)-3,3-dimethylbutan-2-ol
CID 59827324
1-[6-[(2-hydroxy-3,3-dimethylbutyl)amino]hexylamino]-3,3-dimethylbutan-2-ol
CID 21332431
N-(4-hydroxy-2-methylpentyl)formamide
CID 130972750
(2S)-3-formamido-2-hydroxypropanoic acid
CID 22855355
N-(2,3-dimethyl-4-oxobutyl)formamide
CID 174582773
3-formamido-2-hydroxy-N,N-dimethylpropanamide
CID 89251915
N-[3-methyl-2-(methylamino)butyl]formamide
CID 170705034
N-[2-(formamidomethyl)butyl]formamide
CID 59861734
N-[2-(hydroxymethyl)butyl]formamide
CID 130241467
N-[3-methyl-2-(methylaminomethyl)butyl]formamide
CID 177136057
N-[2-hydroxy-3-(2-oxoethylamino)propyl]formamide
CID 100969877

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3,3-dimethylbutyl)formamide?
The IUPAC name of N-(2-hydroxy-3,3-dimethylbutyl)formamide (CID 130752227) is N-(2-hydroxy-3,3-dimethylbutyl)formamide.
What is the SMILES notation for N-(2-hydroxy-3,3-dimethylbutyl)formamide?
The canonical SMILES for N-(2-hydroxy-3,3-dimethylbutyl)formamide is CC(C)(C)C(O)CNC=O.
What is the InChIKey of N-(2-hydroxy-3,3-dimethylbutyl)formamide?
The InChIKey is CSDYSUGCWSLYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-7(2,3)6(10)4-8-5-9/h5-6,10H,4H2,1-3H3,(H,8,9).
What are the key properties of N-(2-hydroxy-3,3-dimethylbutyl)formamide?
N-(2-hydroxy-3,3-dimethylbutyl)formamide has a molecular weight of 145.20 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3,3-dimethylbutyl)formamide is sourced from PubChem (CID 130752227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).