(2S,4S)-4-methyl-5-(methylamino)pentan-2-ol

C7H17NO — CID 155217722

IUPAC(2S,4S)-4-methyl-5-(methylamino)pentan-2-ol
SMILESCNC[C@@H](C)C[C@H](C)O
InChIInChI=1S/C7H17NO/c1-6(5-8-3)4-7(2)9/h6-9H,4-5H2,1-3H3/t6-,7-/m0/s1
InChIKeyOEZHKWUAJKEIQL-BQBZGAKWSA-N
MW131.22 g/mol
LogP0.61
Rot. Bonds4

About (2S,4S)-4-methyl-5-(methylamino)pentan-2-ol

(2S,4S)-4-methyl-5-(methylamino)pentan-2-ol (PubChem CID 155217722) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is (2S,4S)-4-methyl-5-(methylamino)pentan-2-ol.

Molecular Properties

Compound Name(2S,4S)-4-methyl-5-(methylamino)pentan-2-ol
PubChem CID155217722
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name(2S,4S)-4-methyl-5-(methylamino)pentan-2-ol
SMILESCNC[C@@H](C)C[C@H](C)O
InChIInChI=1S/C7H17NO/c1-6(5-8-3)4-7(2)9/h6-9H,4-5H2,1-3H3/t6-,7-/m0/s1
InChIKeyOEZHKWUAJKEIQL-BQBZGAKWSA-N
XLogP0.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-methyl-5-(methylamino)pentan-2-ol?
The IUPAC name of (2S,4S)-4-methyl-5-(methylamino)pentan-2-ol (CID 155217722) is (2S,4S)-4-methyl-5-(methylamino)pentan-2-ol.
What is the SMILES notation for (2S,4S)-4-methyl-5-(methylamino)pentan-2-ol?
The canonical SMILES for (2S,4S)-4-methyl-5-(methylamino)pentan-2-ol is CNC[C@@H](C)C[C@H](C)O.
What is the InChIKey of (2S,4S)-4-methyl-5-(methylamino)pentan-2-ol?
The InChIKey is OEZHKWUAJKEIQL-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H17NO/c1-6(5-8-3)4-7(2)9/h6-9H,4-5H2,1-3H3/t6-,7-/m0/s1.
What are the key properties of (2S,4S)-4-methyl-5-(methylamino)pentan-2-ol?
(2S,4S)-4-methyl-5-(methylamino)pentan-2-ol has a molecular weight of 131.22 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methyl-5-(methylamino)pentan-2-ol is sourced from PubChem (CID 155217722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).