3-(but-3-yn-2-ylamino)-2,3-dimethylbutan-2-ol

C10H19NO — CID 106189892

IUPAC3-(but-3-yn-2-ylamino)-2,3-dimethylbutan-2-ol
SMILESC#CC(C)NC(C)(C)C(C)(C)O
InChIInChI=1S/C10H19NO/c1-7-8(2)11-9(3,4)10(5,6)12/h1,8,11-12H,2-6H3
InChIKeyKVNXDJFHFCJEMJ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.15
Rot. Bonds3

About 3-(but-3-yn-2-ylamino)-2,3-dimethylbutan-2-ol

3-(but-3-yn-2-ylamino)-2,3-dimethylbutan-2-ol (PubChem CID 106189892) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-(but-3-yn-2-ylamino)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-(but-3-yn-2-ylamino)-2,3-dimethylbutan-2-ol
PubChem CID106189892
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-(but-3-yn-2-ylamino)-2,3-dimethylbutan-2-ol
SMILESC#CC(C)NC(C)(C)C(C)(C)O
InChIInChI=1S/C10H19NO/c1-7-8(2)11-9(3,4)10(5,6)12/h1,8,11-12H,2-6H3
InChIKeyKVNXDJFHFCJEMJ-UHFFFAOYSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-Fluoropropylamino)-2,3-dimethylbutan-2-ol
CID 103993408
3-(2-Fluoroethylamino)-2,3-dimethylbutan-2-ol
CID 103993444
2,3-Dimethyl-3-(propan-2-ylamino)butan-2-ol
CID 11159474
2-Methyl-3-(propan-2-ylamino)butan-2-ol
CID 65332894
3-(Ethylamino)-2,3-dimethylbutan-2-ol
CID 86671795
2,3-Dimethyl-3-(2-methylpropylamino)butan-2-ol
CID 103911968
3-(2,2-Dimethylpropylamino)-2,3-dimethylbutan-2-ol
CID 106185784
(3R)-2-methyl-3-(propylamino)butan-2-ol
CID 135276625
3-Methyl-2-(2-methylpent-3-yn-2-ylamino)hex-4-yn-3-ol
CID 137482117
(3S)-3-(tert-butylamino)-2-methylbutan-2-ol
CID 177078671
(3R)-3-(tert-butylamino)-2-methylbutan-2-ol
CID 177078736
1-(Tert-butylamino)-2-methylbut-3-yn-2-ol
CID 13227895

Frequently Asked Questions

What is the IUPAC name of 3-(but-3-yn-2-ylamino)-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-(but-3-yn-2-ylamino)-2,3-dimethylbutan-2-ol (CID 106189892) is 3-(but-3-yn-2-ylamino)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-(but-3-yn-2-ylamino)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-(but-3-yn-2-ylamino)-2,3-dimethylbutan-2-ol is C#CC(C)NC(C)(C)C(C)(C)O.
What is the InChIKey of 3-(but-3-yn-2-ylamino)-2,3-dimethylbutan-2-ol?
The InChIKey is KVNXDJFHFCJEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-7-8(2)11-9(3,4)10(5,6)12/h1,8,11-12H,2-6H3.
What are the key properties of 3-(but-3-yn-2-ylamino)-2,3-dimethylbutan-2-ol?
3-(but-3-yn-2-ylamino)-2,3-dimethylbutan-2-ol has a molecular weight of 169.27 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(but-3-yn-2-ylamino)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106189892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).