(2S)-2-dodecan-6-yl-1-methylpyrrolidine

C17H35N — CID 130410209

IUPAC(2S)-2-dodecan-6-yl-1-methylpyrrolidine
SMILESCCCCCCC(CCCCC)[C@@H]1CCCN1C
InChIInChI=1S/C17H35N/c1-4-6-8-10-13-16(12-9-7-5-2)17-14-11-15-18(17)3/h16-17H,4-15H2,1-3H3/t16?,17-/m0/s1
InChIKeyUBXYKANZDPAEGS-DJNXLDHESA-N
MW253.47 g/mol
LogP5.25
Rot. Bonds10

About (2S)-2-dodecan-6-yl-1-methylpyrrolidine

(2S)-2-dodecan-6-yl-1-methylpyrrolidine (PubChem CID 130410209) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is (2S)-2-dodecan-6-yl-1-methylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-dodecan-6-yl-1-methylpyrrolidine
PubChem CID130410209
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name(2S)-2-dodecan-6-yl-1-methylpyrrolidine
SMILESCCCCCCC(CCCCC)[C@@H]1CCCN1C
InChIInChI=1S/C17H35N/c1-4-6-8-10-13-16(12-9-7-5-2)17-14-11-15-18(17)3/h16-17H,4-15H2,1-3H3/t16?,17-/m0/s1
InChIKeyUBXYKANZDPAEGS-DJNXLDHESA-N
XLogP5.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.25
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)-2-dodecan-6-yl-1-methylpyrrolidine?
The IUPAC name of (2S)-2-dodecan-6-yl-1-methylpyrrolidine (CID 130410209) is (2S)-2-dodecan-6-yl-1-methylpyrrolidine.
What is the SMILES notation for (2S)-2-dodecan-6-yl-1-methylpyrrolidine?
The canonical SMILES for (2S)-2-dodecan-6-yl-1-methylpyrrolidine is CCCCCCC(CCCCC)[C@@H]1CCCN1C.
What is the InChIKey of (2S)-2-dodecan-6-yl-1-methylpyrrolidine?
The InChIKey is UBXYKANZDPAEGS-DJNXLDHESA-N. The full InChI is InChI=1S/C17H35N/c1-4-6-8-10-13-16(12-9-7-5-2)17-14-11-15-18(17)3/h16-17H,4-15H2,1-3H3/t16?,17-/m0/s1.
What are the key properties of (2S)-2-dodecan-6-yl-1-methylpyrrolidine?
(2S)-2-dodecan-6-yl-1-methylpyrrolidine has a molecular weight of 253.47 g/mol, XLogP of 5.25, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-dodecan-6-yl-1-methylpyrrolidine is sourced from PubChem (CID 130410209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).