1-methyl-2-tetradecylpyrrolidine

C19H39N — CID 24796983

IUPAC1-methyl-2-tetradecylpyrrolidine
SMILESCCCCCCCCCCCCCCC1CCCN1C
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
InChIKeyNCSCAOYXUUEXIP-UHFFFAOYSA-N
MW281.53 g/mol
LogP6.17
Rot. Bonds13

About 1-methyl-2-tetradecylpyrrolidine

1-methyl-2-tetradecylpyrrolidine (PubChem CID 24796983) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is 1-methyl-2-tetradecylpyrrolidine.

Molecular Properties

Compound Name1-methyl-2-tetradecylpyrrolidine
PubChem CID24796983
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name1-methyl-2-tetradecylpyrrolidine
SMILESCCCCCCCCCCCCCCC1CCCN1C
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
InChIKeyNCSCAOYXUUEXIP-UHFFFAOYSA-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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Related Compounds

N-[2-(1-methylpyrrolidin-2-yl)ethyl]octan-1-amine
CID 166754142
11-[(2R)-1-methylpyrrolidin-2-yl]undecan-1-ol
CID 11777143
N-[(1-methylpyrrolidin-2-yl)methyl]nonan-1-amine
CID 106025363
2-butyl-1-methylpiperidine;methanesulfonic acid
CID 175583536
1-ethyl-2-hexadecylpiperidine
CID 159279911
(2R)-2-ethyl-1-methylpyrrolidine;hydrofluoride
CID 162730747
ethane;N-methyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine
CID 145468327
4-(1-methylpiperidin-2-yl)butane-1-thiol;hydrobromide
CID 174870559
(5R,8aR)-8a-deuterio-5-hexyl-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 101105438
2-butyl-1-dodecylpyrrolidine;formonitrile
CID 175874902
2-(3-chloropropyl)-1-decylpyrrolidine
CID 63388574
(2S)-2-heptyl-1-prop-2-enylpyrrolidine
CID 134905435

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-tetradecylpyrrolidine?
The IUPAC name of 1-methyl-2-tetradecylpyrrolidine (CID 24796983) is 1-methyl-2-tetradecylpyrrolidine.
What is the SMILES notation for 1-methyl-2-tetradecylpyrrolidine?
The canonical SMILES for 1-methyl-2-tetradecylpyrrolidine is CCCCCCCCCCCCCCC1CCCN1C.
What is the InChIKey of 1-methyl-2-tetradecylpyrrolidine?
The InChIKey is NCSCAOYXUUEXIP-UHFFFAOYSA-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.
What are the key properties of 1-methyl-2-tetradecylpyrrolidine?
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 1-methyl-2-tetradecylpyrrolidine is sourced from PubChem (CID 24796983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).