(2S,4S)-2-(butoxymethyl)-4-methylpyrrolidine

C10H21NO — CID 89165385

IUPAC(2S,4S)-2-(butoxymethyl)-4-methylpyrrolidine
SMILESCCCCOC[C@@H]1C[C@H](C)CN1
InChIInChI=1S/C10H21NO/c1-3-4-5-12-8-10-6-9(2)7-11-10/h9-11H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyILMQFADUXMIXIV-UWVGGRQHSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds5

About (2S,4S)-2-(butoxymethyl)-4-methylpyrrolidine

(2S,4S)-2-(butoxymethyl)-4-methylpyrrolidine (PubChem CID 89165385) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (2S,4S)-2-(butoxymethyl)-4-methylpyrrolidine.

Molecular Properties

Compound Name(2S,4S)-2-(butoxymethyl)-4-methylpyrrolidine
PubChem CID89165385
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(2S,4S)-2-(butoxymethyl)-4-methylpyrrolidine
SMILESCCCCOC[C@@H]1C[C@H](C)CN1
InChIInChI=1S/C10H21NO/c1-3-4-5-12-8-10-6-9(2)7-11-10/h9-11H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyILMQFADUXMIXIV-UWVGGRQHSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[(2S,4S)-4-methylpyrrolidin-2-yl]methoxy]propanoic acid
CID 169177331
(2S,4S)-2-hexyl-4-methylpyrrolidine
CID 101063075
ethane;4-methyl-2-propylpyrrolidine
CID 170743275
(2R)-2-(octoxymethyl)pyrrolidine
CID 102820024
2-heptyl-5-methylpiperidine
CID 106778362
2-hexyl-5-methylpiperidine
CID 106778394
[(4R)-4-methylpyrrolidin-2-yl]methanol
CID 149144026
2-(fluoromethyl)-4-methylpyrrolidine;hydrochloride
CID 138114248
(2S,4S)-4-butoxy-2-ethylpyrrolidine
CID 99994451
2-(butoxymethyl)-6-methylmorpholine
CID 102633707
[(2R,4S)-4-methylpyrrolidin-2-yl]methanol;hydrochloride
CID 68644094
4-butoxy-2-propylpyrrolidine
CID 102568603

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-(butoxymethyl)-4-methylpyrrolidine?
The IUPAC name of (2S,4S)-2-(butoxymethyl)-4-methylpyrrolidine (CID 89165385) is (2S,4S)-2-(butoxymethyl)-4-methylpyrrolidine.
What is the SMILES notation for (2S,4S)-2-(butoxymethyl)-4-methylpyrrolidine?
The canonical SMILES for (2S,4S)-2-(butoxymethyl)-4-methylpyrrolidine is CCCCOC[C@@H]1C[C@H](C)CN1.
What is the InChIKey of (2S,4S)-2-(butoxymethyl)-4-methylpyrrolidine?
The InChIKey is ILMQFADUXMIXIV-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-4-5-12-8-10-6-9(2)7-11-10/h9-11H,3-8H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (2S,4S)-2-(butoxymethyl)-4-methylpyrrolidine?
(2S,4S)-2-(butoxymethyl)-4-methylpyrrolidine has a molecular weight of 171.28 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-(butoxymethyl)-4-methylpyrrolidine is sourced from PubChem (CID 89165385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).