(2S)-2-hexylpyrrolidine

C10H21N — CID 7047826

IUPAC(2S)-2-hexylpyrrolidine
SMILESCCCCCC[C@H]1CCCN1
InChIInChI=1S/C10H21N/c1-2-3-4-5-7-10-8-6-9-11-10/h10-11H,2-9H2,1H3/t10-/m0/s1
InChIKeyKAPSVPRGMIZSEN-JTQLQIEISA-N
MW155.28 g/mol
LogP2.71
Rot. Bonds5

About (2S)-2-hexylpyrrolidine

(2S)-2-hexylpyrrolidine (PubChem CID 7047826) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is (2S)-2-hexylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-hexylpyrrolidine
PubChem CID7047826
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name(2S)-2-hexylpyrrolidine
SMILESCCCCCC[C@H]1CCCN1
InChIInChI=1S/C10H21N/c1-2-3-4-5-7-10-8-6-9-11-10/h10-11H,2-9H2,1H3/t10-/m0/s1
InChIKeyKAPSVPRGMIZSEN-JTQLQIEISA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-tetradecylpiperidine
CID 151771246
2-heptadecylazepane
CID 4009189
N-(2-pyrrolidin-2-ylethyl)octan-1-amine
CID 115568837
ethane;2-propylpyrrolidine
CID 143349498
ethane;(2R)-2-propylpyrrolidine
CID 155717204
7-pyrrolidin-2-ylheptan-1-ol
CID 10330055
2-(2-octadecoxyethyl)piperidine
CID 140997929
(2R)-2-(octoxymethyl)pyrrolidine
CID 102820024
2-pentylpiperidine;trifluoromethanesulfonic acid
CID 175583760
(2S,6R)-2-butyl-6-hexylpiperidine
CID 139750067
(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hexylpyrrolidine?
The IUPAC name of (2S)-2-hexylpyrrolidine (CID 7047826) is (2S)-2-hexylpyrrolidine.
What is the SMILES notation for (2S)-2-hexylpyrrolidine?
The canonical SMILES for (2S)-2-hexylpyrrolidine is CCCCCC[C@H]1CCCN1.
What is the InChIKey of (2S)-2-hexylpyrrolidine?
The InChIKey is KAPSVPRGMIZSEN-JTQLQIEISA-N. The full InChI is InChI=1S/C10H21N/c1-2-3-4-5-7-10-8-6-9-11-10/h10-11H,2-9H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-hexylpyrrolidine?
(2S)-2-hexylpyrrolidine has a molecular weight of 155.28 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hexylpyrrolidine is sourced from PubChem (CID 7047826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).