(1S,2S)-4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-ol

C10H21NO2 — CID 118053390

IUPAC(1S,2S)-4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-ol
SMILESCN[C@@H](CC(C)C)[C@H](O)[C@@]1(C)CO1
InChIInChI=1S/C10H21NO2/c1-7(2)5-8(11-4)9(12)10(3)6-13-10/h7-9,11-12H,5-6H2,1-4H3/t8-,9-,10+/m0/s1
InChIKeyKTPCEZQLYMYIMI-LPEHRKFASA-N
MW187.28 g/mol
LogP0.77
Rot. Bonds5

About (1S,2S)-4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-ol

(1S,2S)-4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-ol (PubChem CID 118053390) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (1S,2S)-4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-ol.

Molecular Properties

Compound Name(1S,2S)-4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-ol
PubChem CID118053390
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(1S,2S)-4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-ol
SMILESCN[C@@H](CC(C)C)[C@H](O)[C@@]1(C)CO1
InChIInChI=1S/C10H21NO2/c1-7(2)5-8(11-4)9(12)10(3)6-13-10/h7-9,11-12H,5-6H2,1-4H3/t8-,9-,10+/m0/s1
InChIKeyKTPCEZQLYMYIMI-LPEHRKFASA-N
XLogP0.77
TPSA44.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-ol?
The IUPAC name of (1S,2S)-4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-ol (CID 118053390) is (1S,2S)-4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-ol.
What is the SMILES notation for (1S,2S)-4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-ol?
The canonical SMILES for (1S,2S)-4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-ol is CN[C@@H](CC(C)C)[C@H](O)[C@@]1(C)CO1.
What is the InChIKey of (1S,2S)-4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-ol?
The InChIKey is KTPCEZQLYMYIMI-LPEHRKFASA-N. The full InChI is InChI=1S/C10H21NO2/c1-7(2)5-8(11-4)9(12)10(3)6-13-10/h7-9,11-12H,5-6H2,1-4H3/t8-,9-,10+/m0/s1.
What are the key properties of (1S,2S)-4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-ol?
(1S,2S)-4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-ol has a molecular weight of 187.28 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-ol is sourced from PubChem (CID 118053390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).