(2R)-2-propyl-5-pyrrolidin-1-ylhexanal

C13H25NO — CID 142922370

IUPAC(2R)-2-propyl-5-pyrrolidin-1-ylhexanal
SMILESCCC[C@@H](C=O)CCC(C)N1CCCC1
InChIInChI=1S/C13H25NO/c1-3-6-13(11-15)8-7-12(2)14-9-4-5-10-14/h11-13H,3-10H2,1-2H3/t12?,13-/m1/s1
InChIKeyPGTJSDGOTSETDC-ZGTCLIOFSA-N
MW211.35 g/mol
LogP2.87
Rot. Bonds7

About (2R)-2-propyl-5-pyrrolidin-1-ylhexanal

(2R)-2-propyl-5-pyrrolidin-1-ylhexanal (PubChem CID 142922370) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (2R)-2-propyl-5-pyrrolidin-1-ylhexanal.

Molecular Properties

Compound Name(2R)-2-propyl-5-pyrrolidin-1-ylhexanal
PubChem CID142922370
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(2R)-2-propyl-5-pyrrolidin-1-ylhexanal
SMILESCCC[C@@H](C=O)CCC(C)N1CCCC1
InChIInChI=1S/C13H25NO/c1-3-6-13(11-15)8-7-12(2)14-9-4-5-10-14/h11-13H,3-10H2,1-2H3/t12?,13-/m1/s1
InChIKeyPGTJSDGOTSETDC-ZGTCLIOFSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-methyloctan-2-yl)piperidine
CID 130243684
1-dodecan-2-ylpyrrolidine
CID 70871228
3-piperidin-1-yl-N-propylbutan-1-amine
CID 62425080
(2S)-2-ethylpentanal
CID 71368973
2-propylpentanedial
CID 86120951
2-(2-chloroethyl)pentanal
CID 175205251
3-pyrrolidin-1-ylbutane-1-thiol
CID 23362416
4-methyl-1-pentan-2-ylazepan-4-ol
CID 107886062
1-methyl-4-[(2R)-pentan-2-yl]piperazine
CID 97304611
N-[2-(azepan-1-yl)propyl]butan-1-amine
CID 62557297
3,3-dimethyl-1-pentan-2-ylpiperidine
CID 59678340
4-tert-butyl-2-(2-piperidin-1-ylpropyl)morpholine
CID 167073041

Frequently Asked Questions

What is the IUPAC name of (2R)-2-propyl-5-pyrrolidin-1-ylhexanal?
The IUPAC name of (2R)-2-propyl-5-pyrrolidin-1-ylhexanal (CID 142922370) is (2R)-2-propyl-5-pyrrolidin-1-ylhexanal.
What is the SMILES notation for (2R)-2-propyl-5-pyrrolidin-1-ylhexanal?
The canonical SMILES for (2R)-2-propyl-5-pyrrolidin-1-ylhexanal is CCC[C@@H](C=O)CCC(C)N1CCCC1.
What is the InChIKey of (2R)-2-propyl-5-pyrrolidin-1-ylhexanal?
The InChIKey is PGTJSDGOTSETDC-ZGTCLIOFSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-6-13(11-15)8-7-12(2)14-9-4-5-10-14/h11-13H,3-10H2,1-2H3/t12?,13-/m1/s1.
What are the key properties of (2R)-2-propyl-5-pyrrolidin-1-ylhexanal?
(2R)-2-propyl-5-pyrrolidin-1-ylhexanal has a molecular weight of 211.35 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-propyl-5-pyrrolidin-1-ylhexanal is sourced from PubChem (CID 142922370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).