5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-amine;dihydrochloride

C9H21Cl2FN2 — CID 45156784

IUPAC5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-amine;dihydrochloride
SMILESCl.Cl.NCCCCCN1CC[C@H](F)C1
InChIInChI=1S/C9H19FN2.2ClH/c10-9-4-7-12(8-9)6-3-1-2-5-11;;/h9H,1-8,11H2;2*1H/t9-;;/m0../s1
InChIKeyDEKUJZLOEDOGDT-WWPIYYJJSA-N
MW247.18 g/mol
LogP2.00
Rot. Bonds5

About 5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-amine;dihydrochloride

5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-amine;dihydrochloride (PubChem CID 45156784) has the molecular formula C9H21Cl2FN2 and a molecular weight of 247.18 g/mol. Its IUPAC name is 5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-amine;dihydrochloride.

Molecular Properties

Compound Name5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-amine;dihydrochloride
PubChem CID45156784
Molecular FormulaC9H21Cl2FN2
Molecular Weight247.18 g/mol
Exact Mass246.11
IUPAC Name5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-amine;dihydrochloride
SMILESCl.Cl.NCCCCCN1CC[C@H](F)C1
InChIInChI=1S/C9H19FN2.2ClH/c10-9-4-7-12(8-9)6-3-1-2-5-11;;/h9H,1-8,11H2;2*1H/t9-;;/m0../s1
InChIKeyDEKUJZLOEDOGDT-WWPIYYJJSA-N
XLogP2.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-amine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine
CID 67408508
3-(3-fluoroazetidin-1-yl)propan-1-amine;dihydrochloride
CID 137331813
1-(4-aminobutyl)pyrrolidin-3-ol
CID 18550500
4-(3-methoxypyrrolidin-1-yl)butan-1-amine
CID 69155262
1-(7-aminoheptyl)-N,N-dimethylpyrrolidin-3-amine
CID 63532634
potassium 3-(3-fluoropyrrolidin-1-yl)propan-1-olate
CID 142317678
7-(4-methylpiperidin-1-yl)heptan-1-amine
CID 28596817
1-(4-aminobutyl)-N,N-dimethylpyrrolidin-3-amine
CID 63166062
7-[3-(methoxymethyl)pyrrolidin-1-yl]heptan-1-amine
CID 64599167
1-[1-(5-aminopentyl)pyrrolidin-3-yl]ethanol
CID 112624715
(3R)-1-(2-chloroethyl)-3-fluoropyrrolidine
CID 130667245
6-(azetidin-1-yl)hexan-1-amine
CID 18952651

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-amine;dihydrochloride?
The IUPAC name of 5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-amine;dihydrochloride (CID 45156784) is 5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-amine;dihydrochloride.
What is the SMILES notation for 5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-amine;dihydrochloride?
The canonical SMILES for 5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-amine;dihydrochloride is Cl.Cl.NCCCCCN1CC[C@H](F)C1.
What is the InChIKey of 5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-amine;dihydrochloride?
The InChIKey is DEKUJZLOEDOGDT-WWPIYYJJSA-N. The full InChI is InChI=1S/C9H19FN2.2ClH/c10-9-4-7-12(8-9)6-3-1-2-5-11;;/h9H,1-8,11H2;2*1H/t9-;;/m0../s1.
What are the key properties of 5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-amine;dihydrochloride?
5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-amine;dihydrochloride has a molecular weight of 247.18 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-amine;dihydrochloride is sourced from PubChem (CID 45156784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).