1-(tert-butylamino)-2,3-dimethylbut-3-en-2-ol

C10H21NO — CID 79178218

IUPAC1-(tert-butylamino)-2,3-dimethylbut-3-en-2-ol
SMILESC=C(C)C(C)(O)CNC(C)(C)C
InChIInChI=1S/C10H21NO/c1-8(2)10(6,12)7-11-9(3,4)5/h11-12H,1,7H2,2-6H3
InChIKeyKWQSVRXANXBBHE-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.70
Rot. Bonds3

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

1-(tert-butylamino)-2,3-dimethylbut-3-en-2-ol (PubChem CID 79178218) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-(tert-butylamino)-2,3-dimethylbut-3-en-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-2,3-dimethylbut-3-en-2-ol
PubChem CID79178218
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-(tert-butylamino)-2,3-dimethylbut-3-en-2-ol
SMILESC=C(C)C(C)(O)CNC(C)(C)C
InChIInChI=1S/C10H21NO/c1-8(2)10(6,12)7-11-9(3,4)5/h11-12H,1,7H2,2-6H3
InChIKeyKWQSVRXANXBBHE-UHFFFAOYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.70
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)-2,3-dimethylbut-3-en-2-ol?
The IUPAC name of 1-(tert-butylamino)-2,3-dimethylbut-3-en-2-ol (CID 79178218) is 1-(tert-butylamino)-2,3-dimethylbut-3-en-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-2,3-dimethylbut-3-en-2-ol?
The canonical SMILES for 1-(tert-butylamino)-2,3-dimethylbut-3-en-2-ol is C=C(C)C(C)(O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-2,3-dimethylbut-3-en-2-ol?
The InChIKey is KWQSVRXANXBBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)10(6,12)7-11-9(3,4)5/h11-12H,1,7H2,2-6H3.
What are the key properties of 1-(tert-butylamino)-2,3-dimethylbut-3-en-2-ol?
1-(tert-butylamino)-2,3-dimethylbut-3-en-2-ol has a molecular weight of 171.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-2,3-dimethylbut-3-en-2-ol is sourced from PubChem (CID 79178218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).