(2R,5R)-2,5-dipentylpyrrolidine;hydrochloride

C14H30ClN — CID 44889697

IUPAC(2R,5R)-2,5-dipentylpyrrolidine;hydrochloride
SMILESCCCCC[C@@H]1CC[C@@H](CCCCC)N1.Cl
InChIInChI=1S/C14H29N.ClH/c1-3-5-7-9-13-11-12-14(15-13)10-8-6-4-2;/h13-15H,3-12H2,1-2H3;1H/t13-,14-;/m1./s1
InChIKeyIWKXZOJZALUQQY-DTPOWOMPSA-N
MW247.85 g/mol
LogP4.69
Rot. Bonds8

About (2R,5R)-2,5-dipentylpyrrolidine;hydrochloride

(2R,5R)-2,5-dipentylpyrrolidine;hydrochloride (PubChem CID 44889697) has the molecular formula C14H30ClN and a molecular weight of 247.85 g/mol. Its IUPAC name is (2R,5R)-2,5-dipentylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name(2R,5R)-2,5-dipentylpyrrolidine;hydrochloride
PubChem CID44889697
Molecular FormulaC14H30ClN
Molecular Weight247.85 g/mol
Exact Mass247.21
IUPAC Name(2R,5R)-2,5-dipentylpyrrolidine;hydrochloride
SMILESCCCCC[C@@H]1CC[C@@H](CCCCC)N1.Cl
InChIInChI=1S/C14H29N.ClH/c1-3-5-7-9-13-11-12-14(15-13)10-8-6-4-2;/h13-15H,3-12H2,1-2H3;1H/t13-,14-;/m1./s1
InChIKeyIWKXZOJZALUQQY-DTPOWOMPSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.85
LogP ≤ 54.69
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

(2R,5S)-2,5-dipentylpyrrolidine
CID 15831903
(2S,5R)-2-hexyl-5-nonylpyrrolidine
CID 163001890
(2R,5R)-2-pentyl-5-propylpyrrolidine
CID 10846548
(2S,5S)-2-ethyl-5-pentylpyrrolidine
CID 71392396
(2S,6R)-2-butyl-6-hexylpiperidine
CID 139750067
(2S,5R)-2-methyl-5-pentadecylpyrrolidine
CID 15722672
(2S,5S)-2-methyl-5-nonylpyrrolidine
CID 15722669
2-heptyl-5-hex-5-enylpyrrolidine
CID 592536
[(2S,5S)-5-butylpyrrolidin-2-yl]methanol
CID 131230214
(2R)-2,5-dipropylpyrrolidine
CID 143543976
(2R,5R)-2-hexyl-5-non-2-ynylpyrrolidine
CID 71662832
(2S,6R)-2-methyl-6-pentadecylpiperidine;hydrochloride
CID 24774422

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2,5-dipentylpyrrolidine;hydrochloride?
The IUPAC name of (2R,5R)-2,5-dipentylpyrrolidine;hydrochloride (CID 44889697) is (2R,5R)-2,5-dipentylpyrrolidine;hydrochloride.
What is the SMILES notation for (2R,5R)-2,5-dipentylpyrrolidine;hydrochloride?
The canonical SMILES for (2R,5R)-2,5-dipentylpyrrolidine;hydrochloride is CCCCC[C@@H]1CC[C@@H](CCCCC)N1.Cl.
What is the InChIKey of (2R,5R)-2,5-dipentylpyrrolidine;hydrochloride?
The InChIKey is IWKXZOJZALUQQY-DTPOWOMPSA-N. The full InChI is InChI=1S/C14H29N.ClH/c1-3-5-7-9-13-11-12-14(15-13)10-8-6-4-2;/h13-15H,3-12H2,1-2H3;1H/t13-,14-;/m1./s1.
What are the key properties of (2R,5R)-2,5-dipentylpyrrolidine;hydrochloride?
(2R,5R)-2,5-dipentylpyrrolidine;hydrochloride has a molecular weight of 247.85 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2,5-dipentylpyrrolidine;hydrochloride is sourced from PubChem (CID 44889697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).