(2S)-N-[3-(dipropylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride

C14H30ClN3O — CID 122081502

IUPAC(2S)-N-[3-(dipropylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCCCN(CCC)CCCNC(=O)[C@@H]1CCCN1.Cl
InChIInChI=1S/C14H29N3O.ClH/c1-3-10-17(11-4-2)12-6-9-16-14(18)13-7-5-8-15-13;/h13,15H,3-12H2,1-2H3,(H,16,18);1H/t13-;/m0./s1
InChIKeyIOLRQGDPNQRHBQ-ZOWNYOTGSA-N
MW291.87 g/mol
LogP1.79
Rot. Bonds9

About (2S)-N-[3-(dipropylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride

(2S)-N-[3-(dipropylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 122081502) has the molecular formula C14H30ClN3O and a molecular weight of 291.87 g/mol. Its IUPAC name is (2S)-N-[3-(dipropylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[3-(dipropylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID122081502
Molecular FormulaC14H30ClN3O
Molecular Weight291.87 g/mol
Exact Mass291.21
IUPAC Name(2S)-N-[3-(dipropylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCCCN(CCC)CCCNC(=O)[C@@H]1CCCN1.Cl
InChIInChI=1S/C14H29N3O.ClH/c1-3-10-17(11-4-2)12-6-9-16-14(18)13-7-5-8-15-13;/h13,15H,3-12H2,1-2H3,(H,16,18);1H/t13-;/m0./s1
InChIKeyIOLRQGDPNQRHBQ-ZOWNYOTGSA-N
XLogP1.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.87
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[2-[ethyl(propyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 103814939
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
N-[3-(diethylamino)propyl]azepane-2-carboxamide
CID 64563964
(2S)-N-[2-[ethyl(propyl)amino]ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119896206
N-propylpyrrolidine-2-carboxamide
CID 4984185
N-[4-(dimethylamino)-4-oxobutyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119303011
(2S)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 62641676
ethyl 4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate;hydrochloride
CID 119290932
N-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119874329
N-(5,5-dimethylhexyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119318990
N-[3-(N-ethylanilino)propyl]pyrrolidine-2-carboxamide
CID 60717546
(2R)-N-[2-[ethyl(methyl)amino]ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119866061

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(dipropylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[3-(dipropylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride (CID 122081502) is (2S)-N-[3-(dipropylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[3-(dipropylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[3-(dipropylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride is CCCN(CCC)CCCNC(=O)[C@@H]1CCCN1.Cl.
What is the InChIKey of (2S)-N-[3-(dipropylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is IOLRQGDPNQRHBQ-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H29N3O.ClH/c1-3-10-17(11-4-2)12-6-9-16-14(18)13-7-5-8-15-13;/h13,15H,3-12H2,1-2H3,(H,16,18);1H/t13-;/m0./s1.
What are the key properties of (2S)-N-[3-(dipropylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-[3-(dipropylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 291.87 g/mol, XLogP of 1.79, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(dipropylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 122081502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).