3-tert-butylimino-4-methylpentan-1-ol

C10H21NO — CID 18316186

IUPAC3-tert-butylimino-4-methylpentan-1-ol
SMILESCC(C)/C(CCO)=N/C(C)(C)C
InChIInChI=1S/C10H21NO/c1-8(2)9(6-7-12)11-10(3,4)5/h8,12H,6-7H2,1-5H3/b11-9+
InChIKeyDTQQRBOMXFWQIX-PKNBQFBNSA-N
MW171.28 g/mol
LogP2.26
Rot. Bonds3

About 3-tert-butylimino-4-methylpentan-1-ol

3-tert-butylimino-4-methylpentan-1-ol (PubChem CID 18316186) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-tert-butylimino-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-tert-butylimino-4-methylpentan-1-ol
PubChem CID18316186
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-tert-butylimino-4-methylpentan-1-ol
SMILESCC(C)/C(CCO)=N/C(C)(C)C
InChIInChI=1S/C10H21NO/c1-8(2)9(6-7-12)11-10(3,4)5/h8,12H,6-7H2,1-5H3/b11-9+
InChIKeyDTQQRBOMXFWQIX-PKNBQFBNSA-N
XLogP2.26
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butylimino-4-methylpentan-1-ol?
The IUPAC name of 3-tert-butylimino-4-methylpentan-1-ol (CID 18316186) is 3-tert-butylimino-4-methylpentan-1-ol.
What is the SMILES notation for 3-tert-butylimino-4-methylpentan-1-ol?
The canonical SMILES for 3-tert-butylimino-4-methylpentan-1-ol is CC(C)/C(CCO)=N/C(C)(C)C.
What is the InChIKey of 3-tert-butylimino-4-methylpentan-1-ol?
The InChIKey is DTQQRBOMXFWQIX-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)9(6-7-12)11-10(3,4)5/h8,12H,6-7H2,1-5H3/b11-9+.
What are the key properties of 3-tert-butylimino-4-methylpentan-1-ol?
3-tert-butylimino-4-methylpentan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylimino-4-methylpentan-1-ol is sourced from PubChem (CID 18316186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).