(2S)-1-(propoxyamino)butan-2-ol

C7H17NO2 — CID 131167807

IUPAC(2S)-1-(propoxyamino)butan-2-ol
SMILESCCCONC[C@@H](O)CC
InChIInChI=1S/C7H17NO2/c1-3-5-10-8-6-7(9)4-2/h7-9H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyBOVWOZFNPKHCTC-ZETCQYMHSA-N
MW147.22 g/mol
LogP0.69
Rot. Bonds6

About (2S)-1-(propoxyamino)butan-2-ol

(2S)-1-(propoxyamino)butan-2-ol (PubChem CID 131167807) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is (2S)-1-(propoxyamino)butan-2-ol.

Molecular Properties

Compound Name(2S)-1-(propoxyamino)butan-2-ol
PubChem CID131167807
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name(2S)-1-(propoxyamino)butan-2-ol
SMILESCCCONC[C@@H](O)CC
InChIInChI=1S/C7H17NO2/c1-3-5-10-8-6-7(9)4-2/h7-9H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyBOVWOZFNPKHCTC-ZETCQYMHSA-N
XLogP0.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(ethoxyamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60702644
1-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol
CID 106990539
1-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethoxy]butan-2-ol
CID 12645981
(2R)-1-butoxybutan-2-ol
CID 27255938
1-(ethoxyamino)-3-(4-methylpentoxy)propan-2-ol
CID 60702220
1-(2-methoxyethoxyamino)-3-(4-methylpentoxy)propan-2-ol
CID 82723139
ethyl 3-hydroxy-4-(2-methoxyethoxyamino)butanoate
CID 103261675
1-(2-methoxyethylamino)butan-2-ol
CID 60885611
1-icosoxybutan-2-ol
CID 58176389
1-(dimethylamino)-3-(ethoxyamino)propan-2-ol
CID 64974910
(2S)-1-octoxybutan-2-ol
CID 88988399
1-(3-hydroxypentylperoxy)pentan-3-ol
CID 141103396

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(propoxyamino)butan-2-ol?
The IUPAC name of (2S)-1-(propoxyamino)butan-2-ol (CID 131167807) is (2S)-1-(propoxyamino)butan-2-ol.
What is the SMILES notation for (2S)-1-(propoxyamino)butan-2-ol?
The canonical SMILES for (2S)-1-(propoxyamino)butan-2-ol is CCCONC[C@@H](O)CC.
What is the InChIKey of (2S)-1-(propoxyamino)butan-2-ol?
The InChIKey is BOVWOZFNPKHCTC-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H17NO2/c1-3-5-10-8-6-7(9)4-2/h7-9H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-1-(propoxyamino)butan-2-ol?
(2S)-1-(propoxyamino)butan-2-ol has a molecular weight of 147.22 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(propoxyamino)butan-2-ol is sourced from PubChem (CID 131167807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).