2-[(1-hydroxy-3-methylpentan-2-yl)amino]acetaldehyde

C8H17NO2 — CID 91339414

IUPAC2-[(1-hydroxy-3-methylpentan-2-yl)amino]acetaldehyde
SMILESCCC(C)C(CO)NCC=O
InChIInChI=1S/C8H17NO2/c1-3-7(2)8(6-11)9-4-5-10/h5,7-9,11H,3-4,6H2,1-2H3
InChIKeyBSZVRJWLCVVWMP-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.18
Rot. Bonds6

About 2-[(1-hydroxy-3-methylpentan-2-yl)amino]acetaldehyde

2-[(1-hydroxy-3-methylpentan-2-yl)amino]acetaldehyde (PubChem CID 91339414) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-[(1-hydroxy-3-methylpentan-2-yl)amino]acetaldehyde.

Molecular Properties

Compound Name2-[(1-hydroxy-3-methylpentan-2-yl)amino]acetaldehyde
PubChem CID91339414
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-[(1-hydroxy-3-methylpentan-2-yl)amino]acetaldehyde
SMILESCCC(C)C(CO)NCC=O
InChIInChI=1S/C8H17NO2/c1-3-7(2)8(6-11)9-4-5-10/h5,7-9,11H,3-4,6H2,1-2H3
InChIKeyBSZVRJWLCVVWMP-UHFFFAOYSA-N
XLogP0.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[(2S)-1-hydroxy-3-methylpentan-2-yl]oxamide
CID 11839005
methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]propanoate
CID 90207576
(1-hydroxy-3-methylpentan-2-yl)carbamic acid
CID 22242867
2-(1-ethylsulfonylpropan-2-ylamino)-3-methylpentan-1-ol
CID 115901377
N-[(2S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-oxoethoxy]acetamide
CID 102041361
2-(heptan-4-ylamino)-3-methylpentan-1-ol
CID 115677280
3-methyl-2-(pentan-2-ylamino)pentan-1-ol
CID 115891612
3-methyl-2-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol
CID 115901375
2-[(2,5-dimethylfuran-3-yl)methylamino]-3-methylpentan-1-ol
CID 115876546
copper;6-[[(1-hydroxy-3-methylpentan-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one;hydroxide
CID 6832797
2-(methylamino)acetaldehyde;2-methylpropane;propane
CID 142611186
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]formamide
CID 13227488

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-3-methylpentan-2-yl)amino]acetaldehyde?
The IUPAC name of 2-[(1-hydroxy-3-methylpentan-2-yl)amino]acetaldehyde (CID 91339414) is 2-[(1-hydroxy-3-methylpentan-2-yl)amino]acetaldehyde.
What is the SMILES notation for 2-[(1-hydroxy-3-methylpentan-2-yl)amino]acetaldehyde?
The canonical SMILES for 2-[(1-hydroxy-3-methylpentan-2-yl)amino]acetaldehyde is CCC(C)C(CO)NCC=O.
What is the InChIKey of 2-[(1-hydroxy-3-methylpentan-2-yl)amino]acetaldehyde?
The InChIKey is BSZVRJWLCVVWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-3-7(2)8(6-11)9-4-5-10/h5,7-9,11H,3-4,6H2,1-2H3.
What are the key properties of 2-[(1-hydroxy-3-methylpentan-2-yl)amino]acetaldehyde?
2-[(1-hydroxy-3-methylpentan-2-yl)amino]acetaldehyde has a molecular weight of 159.23 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-3-methylpentan-2-yl)amino]acetaldehyde is sourced from PubChem (CID 91339414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).