[di(propan-2-yl)amino]oxymethanol

C7H17NO2 — CID 147473985

IUPAC[di(propan-2-yl)amino]oxymethanol
SMILESCC(C)N(OCO)C(C)C
InChIInChI=1S/C7H17NO2/c1-6(2)8(7(3)4)10-5-9/h6-7,9H,5H2,1-4H3
InChIKeyFCIAPLMGBANXDN-UHFFFAOYSA-N
MW147.22 g/mol
LogP0.99
Rot. Bonds4

About [di(propan-2-yl)amino]oxymethanol

[di(propan-2-yl)amino]oxymethanol (PubChem CID 147473985) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is [di(propan-2-yl)amino]oxymethanol.

Molecular Properties

Compound Name[di(propan-2-yl)amino]oxymethanol
PubChem CID147473985
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name[di(propan-2-yl)amino]oxymethanol
SMILESCC(C)N(OCO)C(C)C
InChIInChI=1S/C7H17NO2/c1-6(2)8(7(3)4)10-5-9/h6-7,9H,5H2,1-4H3
InChIKeyFCIAPLMGBANXDN-UHFFFAOYSA-N
XLogP0.99
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropoxy)-N-propan-2-ylpropan-2-amine
CID 19988564
N-ethoxy-3-methyl-N-propan-2-ylbutan-2-amine
CID 174368808
1-(hydroxymethoxy)ethoxymethanol
CID 87328336
[di(propan-2-yl)amino] 3-oxobutanoate
CID 88802858
[di(propan-2-yl)amino]oxy-hydroxy-oxophosphanium
CID 88813225
1-[bis(1-hydroxyethyl)amino]oxypropan-2-ol
CID 57284867
2-[2-methoxyethoxy(propan-2-yl)amino]oxyethanol
CID 150143139
O-[di(propan-2-yl)amino] ethylsulfanylmethanethioate
CID 175159823
N-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpropan-2-amine
CID 22223473
hydroxymethoxymethanol;propane-1,2-diol
CID 87307826
1-aminoethoxymethanol
CID 76727864
[butan-2-yl(propan-2-yl)amino] chloro hydrogen phosphite
CID 88635380

Frequently Asked Questions

What is the IUPAC name of [di(propan-2-yl)amino]oxymethanol?
The IUPAC name of [di(propan-2-yl)amino]oxymethanol (CID 147473985) is [di(propan-2-yl)amino]oxymethanol.
What is the SMILES notation for [di(propan-2-yl)amino]oxymethanol?
The canonical SMILES for [di(propan-2-yl)amino]oxymethanol is CC(C)N(OCO)C(C)C.
What is the InChIKey of [di(propan-2-yl)amino]oxymethanol?
The InChIKey is FCIAPLMGBANXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-6(2)8(7(3)4)10-5-9/h6-7,9H,5H2,1-4H3.
What are the key properties of [di(propan-2-yl)amino]oxymethanol?
[di(propan-2-yl)amino]oxymethanol has a molecular weight of 147.22 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [di(propan-2-yl)amino]oxymethanol is sourced from PubChem (CID 147473985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).