N-(4-hydroxy-2-methylpentyl)formamide

C7H15NO2 — CID 130972750

IUPACN-(4-hydroxy-2-methylpentyl)formamide
SMILESCC(O)CC(C)CNC=O
InChIInChI=1S/C7H15NO2/c1-6(3-7(2)10)4-8-5-9/h5-7,10H,3-4H2,1-2H3,(H,8,9)
InChIKeySIJZLEQZGUHFEC-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.14
Rot. Bonds5

About N-(4-hydroxy-2-methylpentyl)formamide

N-(4-hydroxy-2-methylpentyl)formamide (PubChem CID 130972750) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylpentyl)formamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylpentyl)formamide
PubChem CID130972750
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-(4-hydroxy-2-methylpentyl)formamide
SMILESCC(O)CC(C)CNC=O
InChIInChI=1S/C7H15NO2/c1-6(3-7(2)10)4-8-5-9/h5-7,10H,3-4H2,1-2H3,(H,8,9)
InChIKeySIJZLEQZGUHFEC-UHFFFAOYSA-N
XLogP0.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

(2S,4S)-4-methyl-5-(methylamino)pentan-2-ol
CID 155217722
N-(4-methoxy-2-methylbutyl)formamide
CID 91122116
N-(2-methylnonyl)formamide
CID 146433499
N-(2-hydroxy-3,3-dimethylbutyl)formamide
CID 130752227
2,2,2-trifluoro-N-(4-hydroxy-2-methylpentyl)acetamide
CID 130901653
N-(2-methyl-3-pyrrolidin-1-ylpropyl)formamide
CID 64992591
[(2S)-4-formamido-3-hydroxybutan-2-yl]carbamic acid
CID 118525653
(2S)-3-formamido-2-hydroxypropanoic acid
CID 22855355
N-(2,3-dimethyl-4-oxobutyl)formamide
CID 174582773
1,1-diethyl-3-(4-hydroxy-2-methylpentyl)urea
CID 71911296
N-(2-methyl-3-piperidin-1-ylpropyl)formamide
CID 64992840
1,1-diethyl-3-[(2R,4S)-4-hydroxy-2-methylpentyl]urea
CID 97099381

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylpentyl)formamide?
The IUPAC name of N-(4-hydroxy-2-methylpentyl)formamide (CID 130972750) is N-(4-hydroxy-2-methylpentyl)formamide.
What is the SMILES notation for N-(4-hydroxy-2-methylpentyl)formamide?
The canonical SMILES for N-(4-hydroxy-2-methylpentyl)formamide is CC(O)CC(C)CNC=O.
What is the InChIKey of N-(4-hydroxy-2-methylpentyl)formamide?
The InChIKey is SIJZLEQZGUHFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-6(3-7(2)10)4-8-5-9/h5-7,10H,3-4H2,1-2H3,(H,8,9).
What are the key properties of N-(4-hydroxy-2-methylpentyl)formamide?
N-(4-hydroxy-2-methylpentyl)formamide has a molecular weight of 145.20 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-(4-hydroxy-2-methylpentyl)formamide is sourced from PubChem (CID 130972750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).