2-decyl-1-methylpyrrolidine

C15H31N — CID 558656

IUPAC2-decyl-1-methylpyrrolidine
SMILESCCCCCCCCCCC1CCCN1C
InChIInChI=1S/C15H31N/c1-3-4-5-6-7-8-9-10-12-15-13-11-14-16(15)2/h15H,3-14H2,1-2H3
InChIKeyBKPOUKKPYSWUAA-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.61
Rot. Bonds9

About 2-decyl-1-methylpyrrolidine

2-decyl-1-methylpyrrolidine (PubChem CID 558656) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 2-decyl-1-methylpyrrolidine.

Molecular Properties

Compound Name2-decyl-1-methylpyrrolidine
PubChem CID558656
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name2-decyl-1-methylpyrrolidine
SMILESCCCCCCCCCCC1CCCN1C
InChIInChI=1S/C15H31N/c1-3-4-5-6-7-8-9-10-12-15-13-11-14-16(15)2/h15H,3-14H2,1-2H3
InChIKeyBKPOUKKPYSWUAA-UHFFFAOYSA-N
XLogP4.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.61
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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Related Compounds

N-methyl-N-cetylpyrrolidinium bromide
CID 10548440
N-tetradecyl-N-methylpyrrolidinium bromide
CID 10594819
Pyrrolidinium, 1-dodecyl-1-methyl-, bromide
CID 10806635
1-Methyl-1-octadecylpyrrolidin-1-ium bromide
CID 85553207
1-Methyl-1-tridecylpyrrolidin-1-ium bromide
CID 140253636
(2R)-1-methyl-2-tetradecylpyrrolidine
CID 461557
1-Cyclohexylpyrrolidine
CID 139064
Dimethyl(2-octyl)amine
CID 551585
N,N-diisopropyl-1-amino-n-dodecane
CID 19003862
1-Decyl-1-methylpyrrolidin-1-ium bromide
CID 20401937
1-Methyl-1-octylpyrrolidinium bromide
CID 20435526
1-Methyl-1-octylpyrrolidin-1-ium
CID 20435527

Frequently Asked Questions

What is the IUPAC name of 2-decyl-1-methylpyrrolidine?
The IUPAC name of 2-decyl-1-methylpyrrolidine (CID 558656) is 2-decyl-1-methylpyrrolidine.
What is the SMILES notation for 2-decyl-1-methylpyrrolidine?
The canonical SMILES for 2-decyl-1-methylpyrrolidine is CCCCCCCCCCC1CCCN1C.
What is the InChIKey of 2-decyl-1-methylpyrrolidine?
The InChIKey is BKPOUKKPYSWUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-3-4-5-6-7-8-9-10-12-15-13-11-14-16(15)2/h15H,3-14H2,1-2H3.
What are the key properties of 2-decyl-1-methylpyrrolidine?
2-decyl-1-methylpyrrolidine has a molecular weight of 225.42 g/mol, XLogP of 4.61, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-1-methylpyrrolidine is sourced from PubChem (CID 558656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).