N-[[2-(5-fluoro-3-pyridinyl)cyclopentyl]methyl]propan-2-amine

C14H21FN2 — CID 81034048

IUPACN-[[2-(5-fluoro-3-pyridinyl)cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCC1c1cncc(F)c1
InChIInChI=1S/C14H21FN2/c1-10(2)17-8-11-4-3-5-14(11)12-6-13(15)9-16-7-12/h6-7,9-11,14,17H,3-5,8H2,1-2H3
InChIKeyPSJZLTZCIMCVHJ-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.10
Rot. Bonds4

About N-[[2-(5-fluoro-3-pyridinyl)cyclopentyl]methyl]propan-2-amine

N-[[2-(5-fluoro-3-pyridinyl)cyclopentyl]methyl]propan-2-amine (PubChem CID 81034048) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-[[2-(5-fluoro-3-pyridinyl)cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(5-fluoro-3-pyridinyl)cyclopentyl]methyl]propan-2-amine
PubChem CID81034048
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-[[2-(5-fluoro-3-pyridinyl)cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCC1c1cncc(F)c1
InChIInChI=1S/C14H21FN2/c1-10(2)17-8-11-4-3-5-14(11)12-6-13(15)9-16-7-12/h6-7,9-11,14,17H,3-5,8H2,1-2H3
InChIKeyPSJZLTZCIMCVHJ-UHFFFAOYSA-N
XLogP3.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-fluoro-3-pyridinyl)cyclopentyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(5-fluoro-3-pyridinyl)cyclopentyl]methyl]propan-2-amine (CID 81034048) is N-[[2-(5-fluoro-3-pyridinyl)cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(5-fluoro-3-pyridinyl)cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(5-fluoro-3-pyridinyl)cyclopentyl]methyl]propan-2-amine is CC(C)NCC1CCCC1c1cncc(F)c1.
What is the InChIKey of N-[[2-(5-fluoro-3-pyridinyl)cyclopentyl]methyl]propan-2-amine?
The InChIKey is PSJZLTZCIMCVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-10(2)17-8-11-4-3-5-14(11)12-6-13(15)9-16-7-12/h6-7,9-11,14,17H,3-5,8H2,1-2H3.
What are the key properties of N-[[2-(5-fluoro-3-pyridinyl)cyclopentyl]methyl]propan-2-amine?
N-[[2-(5-fluoro-3-pyridinyl)cyclopentyl]methyl]propan-2-amine has a molecular weight of 236.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-fluoro-3-pyridinyl)cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 81034048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).