2-methyl-4-(pentan-2-ylamino)butan-2-ol

C10H23NO — CID 79361894

IUPAC2-methyl-4-(pentan-2-ylamino)butan-2-ol
SMILESCCCC(C)NCCC(C)(C)O
InChIInChI=1S/C10H23NO/c1-5-6-9(2)11-8-7-10(3,4)12/h9,11-12H,5-8H2,1-4H3
InChIKeyRSYTURCJOLIKLR-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.93
Rot. Bonds6

About 2-methyl-4-(pentan-2-ylamino)butan-2-ol

2-methyl-4-(pentan-2-ylamino)butan-2-ol (PubChem CID 79361894) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 2-methyl-4-(pentan-2-ylamino)butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-(pentan-2-ylamino)butan-2-ol
PubChem CID79361894
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name2-methyl-4-(pentan-2-ylamino)butan-2-ol
SMILESCCCC(C)NCCC(C)(C)O
InChIInChI=1S/C10H23NO/c1-5-6-9(2)11-8-7-10(3,4)12/h9,11-12H,5-8H2,1-4H3
InChIKeyRSYTURCJOLIKLR-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(pentan-2-ylamino)butan-2-ol?
The IUPAC name of 2-methyl-4-(pentan-2-ylamino)butan-2-ol (CID 79361894) is 2-methyl-4-(pentan-2-ylamino)butan-2-ol.
What is the SMILES notation for 2-methyl-4-(pentan-2-ylamino)butan-2-ol?
The canonical SMILES for 2-methyl-4-(pentan-2-ylamino)butan-2-ol is CCCC(C)NCCC(C)(C)O.
What is the InChIKey of 2-methyl-4-(pentan-2-ylamino)butan-2-ol?
The InChIKey is RSYTURCJOLIKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-5-6-9(2)11-8-7-10(3,4)12/h9,11-12H,5-8H2,1-4H3.
What are the key properties of 2-methyl-4-(pentan-2-ylamino)butan-2-ol?
2-methyl-4-(pentan-2-ylamino)butan-2-ol has a molecular weight of 173.30 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(pentan-2-ylamino)butan-2-ol is sourced from PubChem (CID 79361894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).