4-(methoxyamino)-4-methylpentan-1-ol

C7H17NO2 — CID 146333105

IUPAC4-(methoxyamino)-4-methylpentan-1-ol
SMILESCONC(C)(C)CCCO
InChIInChI=1S/C7H17NO2/c1-7(2,8-10-3)5-4-6-9/h8-9H,4-6H2,1-3H3
InChIKeyKVAUFAYGNXFTHH-UHFFFAOYSA-N
MW147.22 g/mol
LogP0.69
Rot. Bonds5

About 4-(methoxyamino)-4-methylpentan-1-ol

4-(methoxyamino)-4-methylpentan-1-ol (PubChem CID 146333105) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 4-(methoxyamino)-4-methylpentan-1-ol.

Molecular Properties

Compound Name4-(methoxyamino)-4-methylpentan-1-ol
PubChem CID146333105
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name4-(methoxyamino)-4-methylpentan-1-ol
SMILESCONC(C)(C)CCCO
InChIInChI=1S/C7H17NO2/c1-7(2,8-10-3)5-4-6-9/h8-9H,4-6H2,1-3H3
InChIKeyKVAUFAYGNXFTHH-UHFFFAOYSA-N
XLogP0.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxyamino)-4-methylpentan-1-ol?
The IUPAC name of 4-(methoxyamino)-4-methylpentan-1-ol (CID 146333105) is 4-(methoxyamino)-4-methylpentan-1-ol.
What is the SMILES notation for 4-(methoxyamino)-4-methylpentan-1-ol?
The canonical SMILES for 4-(methoxyamino)-4-methylpentan-1-ol is CONC(C)(C)CCCO.
What is the InChIKey of 4-(methoxyamino)-4-methylpentan-1-ol?
The InChIKey is KVAUFAYGNXFTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-7(2,8-10-3)5-4-6-9/h8-9H,4-6H2,1-3H3.
What are the key properties of 4-(methoxyamino)-4-methylpentan-1-ol?
4-(methoxyamino)-4-methylpentan-1-ol has a molecular weight of 147.22 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxyamino)-4-methylpentan-1-ol is sourced from PubChem (CID 146333105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).