5-(tert-butylamino)-2,3-dimethylpent-1-en-3-ol

C11H23NO — CID 79180136

IUPAC5-(tert-butylamino)-2,3-dimethylpent-1-en-3-ol
SMILESC=C(C)C(C)(O)CCNC(C)(C)C
InChIInChI=1S/C11H23NO/c1-9(2)11(6,13)7-8-12-10(3,4)5/h12-13H,1,7-8H2,2-6H3
InChIKeyVFILEMDVQGIYDQ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.09
Rot. Bonds4

About 5-(tert-butylamino)-2,3-dimethylpent-1-en-3-ol

5-(tert-butylamino)-2,3-dimethylpent-1-en-3-ol (PubChem CID 79180136) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 5-(tert-butylamino)-2,3-dimethylpent-1-en-3-ol.

Molecular Properties

Compound Name5-(tert-butylamino)-2,3-dimethylpent-1-en-3-ol
PubChem CID79180136
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name5-(tert-butylamino)-2,3-dimethylpent-1-en-3-ol
SMILESC=C(C)C(C)(O)CCNC(C)(C)C
InChIInChI=1S/C11H23NO/c1-9(2)11(6,13)7-8-12-10(3,4)5/h12-13H,1,7-8H2,2-6H3
InChIKeyVFILEMDVQGIYDQ-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Prop-1-en-2-ylpiperidin-4-ol
CID 79190995
2-Methyl-3-[2-(methylamino)ethyl]hex-1-en-3-ol
CID 147205425
5-(Tert-butylamino)-3-methylpent-1-en-3-ol
CID 66002255
1-(Tert-butylamino)-2,3-dimethylbut-3-en-2-ol
CID 79178218
2,3-Dimethyl-5-(methylamino)pent-1-en-3-ol
CID 79179306
5-(Ethylamino)-2,3-dimethylpent-1-en-3-ol
CID 79179535
2,3-Dimethyl-5-(propylamino)pent-1-en-3-ol
CID 79179732
2,3-Dimethyl-5-(propan-2-ylamino)pent-1-en-3-ol
CID 79179943
1-(Tert-butylamino)-3,5-dimethylhex-4-en-3-ol
CID 79180137
2,3-Dimethyl-5-(2-methylpropylamino)pent-1-en-3-ol
CID 79180297
1-(Ethylamino)-3-methylhex-5-en-3-ol
CID 79734599
3-Methyl-1-(propylamino)hex-5-en-3-ol
CID 79734696

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylamino)-2,3-dimethylpent-1-en-3-ol?
The IUPAC name of 5-(tert-butylamino)-2,3-dimethylpent-1-en-3-ol (CID 79180136) is 5-(tert-butylamino)-2,3-dimethylpent-1-en-3-ol.
What is the SMILES notation for 5-(tert-butylamino)-2,3-dimethylpent-1-en-3-ol?
The canonical SMILES for 5-(tert-butylamino)-2,3-dimethylpent-1-en-3-ol is C=C(C)C(C)(O)CCNC(C)(C)C.
What is the InChIKey of 5-(tert-butylamino)-2,3-dimethylpent-1-en-3-ol?
The InChIKey is VFILEMDVQGIYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)11(6,13)7-8-12-10(3,4)5/h12-13H,1,7-8H2,2-6H3.
What are the key properties of 5-(tert-butylamino)-2,3-dimethylpent-1-en-3-ol?
5-(tert-butylamino)-2,3-dimethylpent-1-en-3-ol has a molecular weight of 185.31 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylamino)-2,3-dimethylpent-1-en-3-ol is sourced from PubChem (CID 79180136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).