1-(tert-butylamino)-3,5-dimethylhex-4-en-3-ol

C12H25NO — CID 79180137

IUPAC1-(tert-butylamino)-3,5-dimethylhex-4-en-3-ol
SMILESCC(C)=CC(C)(O)CCNC(C)(C)C
InChIInChI=1S/C12H25NO/c1-10(2)9-12(6,14)7-8-13-11(3,4)5/h9,13-14H,7-8H2,1-6H3
InChIKeyCRVJORIVIGUISX-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.48
Rot. Bonds4

About 1-(tert-butylamino)-3,5-dimethylhex-4-en-3-ol

1-(tert-butylamino)-3,5-dimethylhex-4-en-3-ol (PubChem CID 79180137) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(tert-butylamino)-3,5-dimethylhex-4-en-3-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3,5-dimethylhex-4-en-3-ol
PubChem CID79180137
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-(tert-butylamino)-3,5-dimethylhex-4-en-3-ol
SMILESCC(C)=CC(C)(O)CCNC(C)(C)C
InChIInChI=1S/C12H25NO/c1-10(2)9-12(6,14)7-8-13-11(3,4)5/h9,13-14H,7-8H2,1-6H3
InChIKeyCRVJORIVIGUISX-UHFFFAOYSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3,5-dimethylhex-4-en-3-ol?
The IUPAC name of 1-(tert-butylamino)-3,5-dimethylhex-4-en-3-ol (CID 79180137) is 1-(tert-butylamino)-3,5-dimethylhex-4-en-3-ol.
What is the SMILES notation for 1-(tert-butylamino)-3,5-dimethylhex-4-en-3-ol?
The canonical SMILES for 1-(tert-butylamino)-3,5-dimethylhex-4-en-3-ol is CC(C)=CC(C)(O)CCNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-3,5-dimethylhex-4-en-3-ol?
The InChIKey is CRVJORIVIGUISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2)9-12(6,14)7-8-13-11(3,4)5/h9,13-14H,7-8H2,1-6H3.
What are the key properties of 1-(tert-butylamino)-3,5-dimethylhex-4-en-3-ol?
1-(tert-butylamino)-3,5-dimethylhex-4-en-3-ol has a molecular weight of 199.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3,5-dimethylhex-4-en-3-ol is sourced from PubChem (CID 79180137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).