(2S,3S)-3-methyl-1-(2-methylpropylamino)pentan-2-ol

C10H23NO — CID 59069772

IUPAC(2S,3S)-3-methyl-1-(2-methylpropylamino)pentan-2-ol
SMILESCC[C@H](C)[C@H](O)CNCC(C)C
InChIInChI=1S/C10H23NO/c1-5-9(4)10(12)7-11-6-8(2)3/h8-12H,5-7H2,1-4H3/t9-,10+/m0/s1
InChIKeyWJHSJLFDNXIYEW-VHSXEESVSA-N
MW173.30 g/mol
LogP1.64
Rot. Bonds6

About (2S,3S)-3-methyl-1-(2-methylpropylamino)pentan-2-ol

(2S,3S)-3-methyl-1-(2-methylpropylamino)pentan-2-ol (PubChem CID 59069772) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is (2S,3S)-3-methyl-1-(2-methylpropylamino)pentan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-methyl-1-(2-methylpropylamino)pentan-2-ol
PubChem CID59069772
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name(2S,3S)-3-methyl-1-(2-methylpropylamino)pentan-2-ol
SMILESCC[C@H](C)[C@H](O)CNCC(C)C
InChIInChI=1S/C10H23NO/c1-5-9(4)10(12)7-11-6-8(2)3/h8-12H,5-7H2,1-4H3/t9-,10+/m0/s1
InChIKeyWJHSJLFDNXIYEW-VHSXEESVSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-1-(2-methylpropylamino)pentan-2-ol?
The IUPAC name of (2S,3S)-3-methyl-1-(2-methylpropylamino)pentan-2-ol (CID 59069772) is (2S,3S)-3-methyl-1-(2-methylpropylamino)pentan-2-ol.
What is the SMILES notation for (2S,3S)-3-methyl-1-(2-methylpropylamino)pentan-2-ol?
The canonical SMILES for (2S,3S)-3-methyl-1-(2-methylpropylamino)pentan-2-ol is CC[C@H](C)[C@H](O)CNCC(C)C.
What is the InChIKey of (2S,3S)-3-methyl-1-(2-methylpropylamino)pentan-2-ol?
The InChIKey is WJHSJLFDNXIYEW-VHSXEESVSA-N. The full InChI is InChI=1S/C10H23NO/c1-5-9(4)10(12)7-11-6-8(2)3/h8-12H,5-7H2,1-4H3/t9-,10+/m0/s1.
What are the key properties of (2S,3S)-3-methyl-1-(2-methylpropylamino)pentan-2-ol?
(2S,3S)-3-methyl-1-(2-methylpropylamino)pentan-2-ol has a molecular weight of 173.30 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-1-(2-methylpropylamino)pentan-2-ol is sourced from PubChem (CID 59069772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).