[(3R)-3-aminopyrrolidin-1-yl]-[4-[ethyl(propyl)amino]phenyl]methanone;dihydrochloride

C16H27Cl2N3O — CID 119409534

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-[4-[ethyl(propyl)amino]phenyl]methanone;dihydrochloride
SMILESCCCN(CC)c1ccc(C(=O)N2CC[C@@H](N)C2)cc1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-3-10-18(4-2)15-7-5-13(6-8-15)16(20)19-11-9-14(17)12-19;;/h5-8,14H,3-4,9-12,17H2,1-2H3;2*1H/t14-;;/m1../s1
InChIKeyOTMJKBVXTDDSOJ-FMOMHUKBSA-N
MW348.32 g/mol
LogP2.94
Rot. Bonds5

About [(3R)-3-aminopyrrolidin-1-yl]-[4-[ethyl(propyl)amino]phenyl]methanone;dihydrochloride

[(3R)-3-aminopyrrolidin-1-yl]-[4-[ethyl(propyl)amino]phenyl]methanone;dihydrochloride (PubChem CID 119409534) has the molecular formula C16H27Cl2N3O and a molecular weight of 348.32 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-[4-[ethyl(propyl)amino]phenyl]methanone;dihydrochloride.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-[4-[ethyl(propyl)amino]phenyl]methanone;dihydrochloride
PubChem CID119409534
Molecular FormulaC16H27Cl2N3O
Molecular Weight348.32 g/mol
Exact Mass347.15
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-[4-[ethyl(propyl)amino]phenyl]methanone;dihydrochloride
SMILESCCCN(CC)c1ccc(C(=O)N2CC[C@@H](N)C2)cc1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-3-10-18(4-2)15-7-5-13(6-8-15)16(20)19-11-9-14(17)12-19;;/h5-8,14H,3-4,9-12,17H2,1-2H3;2*1H/t14-;;/m1../s1
InChIKeyOTMJKBVXTDDSOJ-FMOMHUKBSA-N
XLogP2.94
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[ethyl(propyl)amino]phenyl]-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119487943
(3-aminopiperidin-1-yl)-[4-[methyl(propyl)amino]phenyl]methanone
CID 119381942
[4-(diethylamino)phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79030131
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-[ethyl(propyl)amino]phenyl]methanone
CID 120656272
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N,N-dipropylbenzamide
CID 119410677
(4-aminopiperidin-1-yl)-[4-[butyl(methyl)amino]phenyl]methanone;dihydrochloride
CID 119374740
[(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 102983493
(3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone
CID 62068283
(3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
CID 62067516
4-(3-aminopiperidine-1-carbonyl)-N,N-diethylbenzamide;hydrochloride
CID 119380611
[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride
CID 119413093
4-(3-aminopiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide;hydrochloride
CID 119377266

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[4-[ethyl(propyl)amino]phenyl]methanone;dihydrochloride?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[4-[ethyl(propyl)amino]phenyl]methanone;dihydrochloride (CID 119409534) is [(3R)-3-aminopyrrolidin-1-yl]-[4-[ethyl(propyl)amino]phenyl]methanone;dihydrochloride.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-[4-[ethyl(propyl)amino]phenyl]methanone;dihydrochloride?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-[4-[ethyl(propyl)amino]phenyl]methanone;dihydrochloride is CCCN(CC)c1ccc(C(=O)N2CC[C@@H](N)C2)cc1.Cl.Cl.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-[4-[ethyl(propyl)amino]phenyl]methanone;dihydrochloride?
The InChIKey is OTMJKBVXTDDSOJ-FMOMHUKBSA-N. The full InChI is InChI=1S/C16H25N3O.2ClH/c1-3-10-18(4-2)15-7-5-13(6-8-15)16(20)19-11-9-14(17)12-19;;/h5-8,14H,3-4,9-12,17H2,1-2H3;2*1H/t14-;;/m1../s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-[4-[ethyl(propyl)amino]phenyl]methanone;dihydrochloride?
[(3R)-3-aminopyrrolidin-1-yl]-[4-[ethyl(propyl)amino]phenyl]methanone;dihydrochloride has a molecular weight of 348.32 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-[4-[ethyl(propyl)amino]phenyl]methanone;dihydrochloride is sourced from PubChem (CID 119409534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).