2-dodecan-6-yl-1-methylpyrrolidine

C17H35N — CID 129288030

IUPAC2-dodecan-6-yl-1-methylpyrrolidine
SMILESCCCCCCC(CCCCC)C1CCCN1C
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
InChIKeyUBXYKANZDPAEGS-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.25
Rot. Bonds10

About 2-dodecan-6-yl-1-methylpyrrolidine

2-dodecan-6-yl-1-methylpyrrolidine (PubChem CID 129288030) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 2-dodecan-6-yl-1-methylpyrrolidine.

Molecular Properties

Compound Name2-dodecan-6-yl-1-methylpyrrolidine
PubChem CID129288030
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name2-dodecan-6-yl-1-methylpyrrolidine
SMILESCCCCCCC(CCCCC)C1CCCN1C
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
InChIKeyUBXYKANZDPAEGS-UHFFFAOYSA-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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Related Compounds

1-Octanamine, 7-methyl-N,N-bis(7-methyloctyl)-
CID 87508
(2R)-1-methyl-2-tetradecylpyrrolidine
CID 461557
Triisodecylamine
CID 118865
3-(1-Methyl-pyrrolidin-2-yl)-1-octyl-piperidine
CID 44335442
(2S)-1-methyl-2-tetradecylpyrrolidine
CID 11196781
(5S,6R,8R,8aS)-6,8-diethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 162964490
N,N-Dimethyl-2-pentylnonylamine
CID 145356
N,N,3,7,11-Pentamethyldodecan-1-amine
CID 185850
(4R)-4-(fluoromethyl)-1-methyl-2-(2-methylpropyl)pyrrolidine
CID 178101320
4-(Fluoromethyl)-1-methyl-2-propylpyrrolidine
CID 178101900
Pyrrolidine, 2-dodecyl-1-methyl-
CID 558658
2-tetradecyl 1-N-methylpyrrolidine
CID 24796983

Frequently Asked Questions

What is the IUPAC name of 2-dodecan-6-yl-1-methylpyrrolidine?
The IUPAC name of 2-dodecan-6-yl-1-methylpyrrolidine (CID 129288030) is 2-dodecan-6-yl-1-methylpyrrolidine.
What is the SMILES notation for 2-dodecan-6-yl-1-methylpyrrolidine?
The canonical SMILES for 2-dodecan-6-yl-1-methylpyrrolidine is CCCCCCC(CCCCC)C1CCCN1C.
What is the InChIKey of 2-dodecan-6-yl-1-methylpyrrolidine?
The InChIKey is UBXYKANZDPAEGS-UHFFFAOYSA-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.
What are the key properties of 2-dodecan-6-yl-1-methylpyrrolidine?
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 2-dodecan-6-yl-1-methylpyrrolidine is sourced from PubChem (CID 129288030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).