N-(2-methylpropyl)hydroxylamine;hydrate

C4H13NO2 — CID 175590115

IUPACN-(2-methylpropyl)hydroxylamine;hydrate
SMILESCC(C)CNO.O
InChIInChI=1S/C4H11NO.H2O/c1-4(2)3-5-6;/h4-6H,3H2,1-2H3;1H2
InChIKeyCRWGZGYVQFJOCO-UHFFFAOYSA-N
MW107.15 g/mol
LogP-0.20
Rot. Bonds2

About N-(2-methylpropyl)hydroxylamine;hydrate

N-(2-methylpropyl)hydroxylamine;hydrate (PubChem CID 175590115) has the molecular formula C4H13NO2 and a molecular weight of 107.15 g/mol. Its IUPAC name is N-(2-methylpropyl)hydroxylamine;hydrate.

Molecular Properties

Compound NameN-(2-methylpropyl)hydroxylamine;hydrate
PubChem CID175590115
Molecular FormulaC4H13NO2
Molecular Weight107.15 g/mol
Exact Mass107.09
IUPAC NameN-(2-methylpropyl)hydroxylamine;hydrate
SMILESCC(C)CNO.O
InChIInChI=1S/C4H11NO.H2O/c1-4(2)3-5-6;/h4-6H,3H2,1-2H3;1H2
InChIKeyCRWGZGYVQFJOCO-UHFFFAOYSA-N
XLogP-0.20
TPSA63.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.15
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethylpentyl)hydroxylamine
CID 130481162
CID 175939227
CID 175939227
2-methyl-N-(2-methylpropyl)propan-1-amine;hydrochloride
CID 519535
(2R)-2-[(hydroxyamino)methyl]-4-methylpentanamide
CID 138646776
2-methylpropylcyanamide
CID 21399032
(2R)-1-(2-methylpropylamino)propan-2-ol
CID 777887
[2-(2-methylpropyl)hydrazinyl]methanol
CID 91240947
3-cyano-N-(2-methylpropyl)propanamide
CID 82111206
N-bis(2-methylpropylamino)boranyl-2-methylpropan-1-amine
CID 18763880
N,2-dimethylpropan-1-amine;methanamine
CID 144585140
N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 54452976
2,2-dimethyl-N-(2-methylpropyl)butanamide
CID 4634733

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)hydroxylamine;hydrate?
The IUPAC name of N-(2-methylpropyl)hydroxylamine;hydrate (CID 175590115) is N-(2-methylpropyl)hydroxylamine;hydrate.
What is the SMILES notation for N-(2-methylpropyl)hydroxylamine;hydrate?
The canonical SMILES for N-(2-methylpropyl)hydroxylamine;hydrate is CC(C)CNO.O.
What is the InChIKey of N-(2-methylpropyl)hydroxylamine;hydrate?
The InChIKey is CRWGZGYVQFJOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.H2O/c1-4(2)3-5-6;/h4-6H,3H2,1-2H3;1H2.
What are the key properties of N-(2-methylpropyl)hydroxylamine;hydrate?
N-(2-methylpropyl)hydroxylamine;hydrate has a molecular weight of 107.15 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)hydroxylamine;hydrate is sourced from PubChem (CID 175590115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).