6-(tert-butylamino)-2-methylhex-3-yn-2-ol

C11H21NO — CID 88677038

IUPAC6-(tert-butylamino)-2-methylhex-3-yn-2-ol
SMILESCC(C)(O)C#CCCNC(C)(C)C
InChIInChI=1S/C11H21NO/c1-10(2,3)12-9-7-6-8-11(4,5)13/h12-13H,7,9H2,1-5H3
InChIKeyJFODMGAKDCJNBU-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.54
Rot. Bonds2

About 6-(tert-butylamino)-2-methylhex-3-yn-2-ol

6-(tert-butylamino)-2-methylhex-3-yn-2-ol (PubChem CID 88677038) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 6-(tert-butylamino)-2-methylhex-3-yn-2-ol.

Molecular Properties

Compound Name6-(tert-butylamino)-2-methylhex-3-yn-2-ol
PubChem CID88677038
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name6-(tert-butylamino)-2-methylhex-3-yn-2-ol
SMILESCC(C)(O)C#CCCNC(C)(C)C
InChIInChI=1S/C11H21NO/c1-10(2,3)12-9-7-6-8-11(4,5)13/h12-13H,7,9H2,1-5H3
InChIKeyJFODMGAKDCJNBU-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1,1-Dimethylethyl)amino]-2-methyl-2-propanol
CID 10909698
6-(Ethylamino)-2-methylhexa-3,5-diyn-2-ol
CID 134893912
2-Methyl-6-(propylamino)hexa-3,5-diyn-2-ol
CID 134893990
2-Methyl-1-(2-methylbutan-2-ylamino)propan-2-ol
CID 60883987
1-(But-3-ynylamino)-2-methylpropan-2-ol
CID 64085688
3-Methyl-2-(2-methylpent-3-yn-2-ylamino)hex-4-yn-3-ol
CID 137482117
4-(Butan-2-ylamino)-3-methylbut-1-yn-1-ol
CID 139338317
4-(Tert-butylamino)-3,3-dimethylbut-1-yn-1-ol
CID 146602581
Diethyl-(4-hydroxy-4-methylpent-2-ynyl)azanium
CID 2262035
1-(Tert-butylamino)-2-methylbut-3-yn-2-ol
CID 13227895
1-(Tert-butylamino)-2,5-dimethylhex-3-yne-2,5-diol
CID 13227896
2-Methyl-1-(2-methylbut-3-yn-2-ylamino)propan-2-ol
CID 64004226

Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-2-methylhex-3-yn-2-ol?
The IUPAC name of 6-(tert-butylamino)-2-methylhex-3-yn-2-ol (CID 88677038) is 6-(tert-butylamino)-2-methylhex-3-yn-2-ol.
What is the SMILES notation for 6-(tert-butylamino)-2-methylhex-3-yn-2-ol?
The canonical SMILES for 6-(tert-butylamino)-2-methylhex-3-yn-2-ol is CC(C)(O)C#CCCNC(C)(C)C.
What is the InChIKey of 6-(tert-butylamino)-2-methylhex-3-yn-2-ol?
The InChIKey is JFODMGAKDCJNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2,3)12-9-7-6-8-11(4,5)13/h12-13H,7,9H2,1-5H3.
What are the key properties of 6-(tert-butylamino)-2-methylhex-3-yn-2-ol?
6-(tert-butylamino)-2-methylhex-3-yn-2-ol has a molecular weight of 183.29 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-2-methylhex-3-yn-2-ol is sourced from PubChem (CID 88677038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).