3-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol

C10H23NO — CID 59084873

IUPAC3-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol
SMILESCC(C)C[C@@H](C)NC(C)C(C)O
InChIInChI=1S/C10H23NO/c1-7(2)6-8(3)11-9(4)10(5)12/h7-12H,6H2,1-5H3/t8-,9?,10?/m1/s1
InChIKeyOSFCRYGHIGDPQQ-XNWIYYODSA-N
MW173.30 g/mol
LogP1.78
Rot. Bonds5

About 3-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol

3-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol (PubChem CID 59084873) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 3-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol.

Molecular Properties

Compound Name3-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol
PubChem CID59084873
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name3-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol
SMILESCC(C)C[C@@H](C)NC(C)C(C)O
InChIInChI=1S/C10H23NO/c1-7(2)6-8(3)11-9(4)10(5)12/h7-12H,6H2,1-5H3/t8-,9?,10?/m1/s1
InChIKeyOSFCRYGHIGDPQQ-XNWIYYODSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol?
The IUPAC name of 3-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol (CID 59084873) is 3-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol.
What is the SMILES notation for 3-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol?
The canonical SMILES for 3-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol is CC(C)C[C@@H](C)NC(C)C(C)O.
What is the InChIKey of 3-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol?
The InChIKey is OSFCRYGHIGDPQQ-XNWIYYODSA-N. The full InChI is InChI=1S/C10H23NO/c1-7(2)6-8(3)11-9(4)10(5)12/h7-12H,6H2,1-5H3/t8-,9?,10?/m1/s1.
What are the key properties of 3-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol?
3-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol has a molecular weight of 173.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol is sourced from PubChem (CID 59084873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).