(2S)-1-methyl-2-tetradecylpyrrolidine

C19H39N — CID 11196781

IUPAC(2S)-1-methyl-2-tetradecylpyrrolidine
SMILESCCCCCCCCCCCCCC[C@H]1CCCN1C
InChIInChI=1S/C19H39N/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(19)2/h19H,3-18H2,1-2H3/t19-/m0/s1
InChIKeyNCSCAOYXUUEXIP-IBGZPJMESA-N
MW281.53 g/mol
LogP6.17
Rot. Bonds13

About (2S)-1-methyl-2-tetradecylpyrrolidine

(2S)-1-methyl-2-tetradecylpyrrolidine (PubChem CID 11196781) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is (2S)-1-methyl-2-tetradecylpyrrolidine.

Molecular Properties

Compound Name(2S)-1-methyl-2-tetradecylpyrrolidine
PubChem CID11196781
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name(2S)-1-methyl-2-tetradecylpyrrolidine
SMILESCCCCCCCCCCCCCC[C@H]1CCCN1C
InChIInChI=1S/C19H39N/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(19)2/h19H,3-18H2,1-2H3/t19-/m0/s1
InChIKeyNCSCAOYXUUEXIP-IBGZPJMESA-N
XLogP6.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-tetradecylpyrrolidine?
The IUPAC name of (2S)-1-methyl-2-tetradecylpyrrolidine (CID 11196781) is (2S)-1-methyl-2-tetradecylpyrrolidine.
What is the SMILES notation for (2S)-1-methyl-2-tetradecylpyrrolidine?
The canonical SMILES for (2S)-1-methyl-2-tetradecylpyrrolidine is CCCCCCCCCCCCCC[C@H]1CCCN1C.
What is the InChIKey of (2S)-1-methyl-2-tetradecylpyrrolidine?
The InChIKey is NCSCAOYXUUEXIP-IBGZPJMESA-N. The full InChI is InChI=1S/C19H39N/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(19)2/h19H,3-18H2,1-2H3/t19-/m0/s1.
What are the key properties of (2S)-1-methyl-2-tetradecylpyrrolidine?
(2S)-1-methyl-2-tetradecylpyrrolidine has a molecular weight of 281.53 g/mol, XLogP of 6.17, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-2-tetradecylpyrrolidine is sourced from PubChem (CID 11196781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).