N-[[2-(3-fluoro-4-pyridinyl)cyclopentyl]methyl]propan-1-amine

C14H21FN2 — CID 113447373

IUPACN-[[2-(3-fluoro-4-pyridinyl)cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1CCCC1c1ccncc1F
InChIInChI=1S/C14H21FN2/c1-2-7-16-9-11-4-3-5-12(11)13-6-8-17-10-14(13)15/h6,8,10-12,16H,2-5,7,9H2,1H3
InChIKeyOKXNVYKXNBQCHT-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.10
Rot. Bonds5

About N-[[2-(3-fluoro-4-pyridinyl)cyclopentyl]methyl]propan-1-amine

N-[[2-(3-fluoro-4-pyridinyl)cyclopentyl]methyl]propan-1-amine (PubChem CID 113447373) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-[[2-(3-fluoro-4-pyridinyl)cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-fluoro-4-pyridinyl)cyclopentyl]methyl]propan-1-amine
PubChem CID113447373
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-[[2-(3-fluoro-4-pyridinyl)cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1CCCC1c1ccncc1F
InChIInChI=1S/C14H21FN2/c1-2-7-16-9-11-4-3-5-12(11)13-6-8-17-10-14(13)15/h6,8,10-12,16H,2-5,7,9H2,1H3
InChIKeyOKXNVYKXNBQCHT-UHFFFAOYSA-N
XLogP3.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(3-fluoro-4-pyridinyl)cyclohexyl]methyl]ethanamine
CID 104739444
N-[[2-(4-methyl-3-pyridinyl)cyclopentyl]methyl]propan-1-amine
CID 81034471
N-[[2-(3-fluoro-4-pyridinyl)cyclopentyl]methyl]cyclopropanamine
CID 104739441
N-[[2-(4-chloro-2-fluorophenyl)cyclohexyl]methyl]propan-1-amine
CID 81027639
[2-(3-fluoro-4-pyridinyl)cycloheptyl]methanamine
CID 104739408
3-(3-fluoro-4-pyridinyl)-2-methyl-N-propylcyclopentan-1-amine
CID 104739065
N-[(2-naphthalen-1-ylcyclopentyl)methyl]propan-1-amine
CID 81033533
N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81034036
1-[2-(3-fluoro-4-pyridinyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 104739476
N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine
CID 81026587
N-[[2-(2-methylpyrazol-3-yl)cyclopentyl]methyl]propan-1-amine
CID 81033039
N-[[2-(2,5-dimethylphenyl)cyclohexyl]methyl]propan-1-amine
CID 81027499

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluoro-4-pyridinyl)cyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3-fluoro-4-pyridinyl)cyclopentyl]methyl]propan-1-amine (CID 113447373) is N-[[2-(3-fluoro-4-pyridinyl)cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-fluoro-4-pyridinyl)cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-fluoro-4-pyridinyl)cyclopentyl]methyl]propan-1-amine is CCCNCC1CCCC1c1ccncc1F.
What is the InChIKey of N-[[2-(3-fluoro-4-pyridinyl)cyclopentyl]methyl]propan-1-amine?
The InChIKey is OKXNVYKXNBQCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-2-7-16-9-11-4-3-5-12(11)13-6-8-17-10-14(13)15/h6,8,10-12,16H,2-5,7,9H2,1H3.
What are the key properties of N-[[2-(3-fluoro-4-pyridinyl)cyclopentyl]methyl]propan-1-amine?
N-[[2-(3-fluoro-4-pyridinyl)cyclopentyl]methyl]propan-1-amine has a molecular weight of 236.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluoro-4-pyridinyl)cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 113447373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).