(2S)-2-(methoxymethyl)-1-(5-methylundecan-5-yl)pyrrolidine

C18H37NO — CID 146553988

IUPAC(2S)-2-(methoxymethyl)-1-(5-methylundecan-5-yl)pyrrolidine
SMILESCCCCCCC(C)(CCCC)N1CCC[C@H]1COC
InChIInChI=1S/C18H37NO/c1-5-7-9-10-14-18(3,13-8-6-2)19-15-11-12-17(19)16-20-4/h17H,5-16H2,1-4H3/t17-,18?/m0/s1
InChIKeyRWNRWEIISHRHPY-ZENAZSQFSA-N
MW283.50 g/mol
LogP5.02
Rot. Bonds11

About (2S)-2-(methoxymethyl)-1-(5-methylundecan-5-yl)pyrrolidine

(2S)-2-(methoxymethyl)-1-(5-methylundecan-5-yl)pyrrolidine (PubChem CID 146553988) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is (2S)-2-(methoxymethyl)-1-(5-methylundecan-5-yl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(methoxymethyl)-1-(5-methylundecan-5-yl)pyrrolidine
PubChem CID146553988
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name(2S)-2-(methoxymethyl)-1-(5-methylundecan-5-yl)pyrrolidine
SMILESCCCCCCC(C)(CCCC)N1CCC[C@H]1COC
InChIInChI=1S/C18H37NO/c1-5-7-9-10-14-18(3,13-8-6-2)19-15-11-12-17(19)16-20-4/h17H,5-16H2,1-4H3/t17-,18?/m0/s1
InChIKeyRWNRWEIISHRHPY-ZENAZSQFSA-N
XLogP5.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(6-methyldodecan-6-yl)pyrrolidin-2-amine
CID 170325114
2-(2-ethylpiperidin-1-yl)-2-methylnonan-1-amine
CID 43266378
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylnonan-1-amine
CID 62885069
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexadecan-1-one
CID 170241692
2-(3-methoxypyrrolidin-1-yl)-2-methylheptan-1-amine
CID 103531540
1-tert-butyl-2-(methoxymethyl)azetidine
CID 14509066
1-(7-methyltridecan-7-yl)pyrrolidine
CID 131990775
2-methyl-2-(2-propan-2-ylpyrrolidin-1-yl)heptan-1-amine
CID 80557427
1-(7-methyltetradecan-7-yl)piperidin-3-amine
CID 126486331
(2R)-1-ethyl-2-(methoxymethyl)pyrrolidine
CID 59678139
S-methyl 4-[2-(methoxymethyl)pyrrolidin-1-yl]-4-methylpent-2-ynethioate
CID 155594423
(2S)-1-(2,2-dimethylbutyl)-2-(methoxymethyl)pyrrolidine
CID 138459557

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethyl)-1-(5-methylundecan-5-yl)pyrrolidine?
The IUPAC name of (2S)-2-(methoxymethyl)-1-(5-methylundecan-5-yl)pyrrolidine (CID 146553988) is (2S)-2-(methoxymethyl)-1-(5-methylundecan-5-yl)pyrrolidine.
What is the SMILES notation for (2S)-2-(methoxymethyl)-1-(5-methylundecan-5-yl)pyrrolidine?
The canonical SMILES for (2S)-2-(methoxymethyl)-1-(5-methylundecan-5-yl)pyrrolidine is CCCCCCC(C)(CCCC)N1CCC[C@H]1COC.
What is the InChIKey of (2S)-2-(methoxymethyl)-1-(5-methylundecan-5-yl)pyrrolidine?
The InChIKey is RWNRWEIISHRHPY-ZENAZSQFSA-N. The full InChI is InChI=1S/C18H37NO/c1-5-7-9-10-14-18(3,13-8-6-2)19-15-11-12-17(19)16-20-4/h17H,5-16H2,1-4H3/t17-,18?/m0/s1.
What are the key properties of (2S)-2-(methoxymethyl)-1-(5-methylundecan-5-yl)pyrrolidine?
(2S)-2-(methoxymethyl)-1-(5-methylundecan-5-yl)pyrrolidine has a molecular weight of 283.50 g/mol, XLogP of 5.02, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxymethyl)-1-(5-methylundecan-5-yl)pyrrolidine is sourced from PubChem (CID 146553988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).