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

C7H17NO — CID 11457711

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

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

(2S,3S)-3-methyl-2-(methylamino)pentan-1-ol (PubChem CID 11457711) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-(methylamino)pentan-1-ol
PubChem CID11457711
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name(2S,3S)-3-methyl-2-(methylamino)pentan-1-ol
SMILESCC[C@H](C)[C@@H](CO)NC
InChIInChI=1S/C7H17NO/c1-4-6(2)7(5-9)8-3/h6-9H,4-5H2,1-3H3/t6-,7+/m0/s1
InChIKeyHMABCSLFCWFJQF-NKWVEPMBSA-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,3S)-3-methyl-2-(methylamino)pentan-1-ol?
The IUPAC name of (2S,3S)-3-methyl-2-(methylamino)pentan-1-ol (CID 11457711) is (2S,3S)-3-methyl-2-(methylamino)pentan-1-ol.
What is the SMILES notation for (2S,3S)-3-methyl-2-(methylamino)pentan-1-ol?
The canonical SMILES for (2S,3S)-3-methyl-2-(methylamino)pentan-1-ol is CC[C@H](C)[C@@H](CO)NC.
What is the InChIKey of (2S,3S)-3-methyl-2-(methylamino)pentan-1-ol?
The InChIKey is HMABCSLFCWFJQF-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H17NO/c1-4-6(2)7(5-9)8-3/h6-9H,4-5H2,1-3H3/t6-,7+/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-(methylamino)pentan-1-ol?
(2S,3S)-3-methyl-2-(methylamino)pentan-1-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,3S)-3-methyl-2-(methylamino)pentan-1-ol is sourced from PubChem (CID 11457711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).