N-[(3-fluoro-2-pyridinyl)methyl]-2-methylcyclopentan-1-amine

C12H17FN2 — CID 115757258

IUPACN-[(3-fluoro-2-pyridinyl)methyl]-2-methylcyclopentan-1-amine
SMILESCC1CCCC1NCc1ncccc1F
InChIInChI=1S/C12H17FN2/c1-9-4-2-6-11(9)15-8-12-10(13)5-3-7-14-12/h3,5,7,9,11,15H,2,4,6,8H2,1H3
InChIKeyPCIFORLYEPZSEA-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.50
Rot. Bonds3

About N-[(3-fluoro-2-pyridinyl)methyl]-2-methylcyclopentan-1-amine

N-[(3-fluoro-2-pyridinyl)methyl]-2-methylcyclopentan-1-amine (PubChem CID 115757258) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is N-[(3-fluoro-2-pyridinyl)methyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(3-fluoro-2-pyridinyl)methyl]-2-methylcyclopentan-1-amine
PubChem CID115757258
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC NameN-[(3-fluoro-2-pyridinyl)methyl]-2-methylcyclopentan-1-amine
SMILESCC1CCCC1NCc1ncccc1F
InChIInChI=1S/C12H17FN2/c1-9-4-2-6-11(9)15-8-12-10(13)5-3-7-14-12/h3,5,7,9,11,15H,2,4,6,8H2,1H3
InChIKeyPCIFORLYEPZSEA-UHFFFAOYSA-N
XLogP2.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2-pyridinyl)methyl]-2-methylcyclopentan-1-amine?
The IUPAC name of N-[(3-fluoro-2-pyridinyl)methyl]-2-methylcyclopentan-1-amine (CID 115757258) is N-[(3-fluoro-2-pyridinyl)methyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(3-fluoro-2-pyridinyl)methyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for N-[(3-fluoro-2-pyridinyl)methyl]-2-methylcyclopentan-1-amine is CC1CCCC1NCc1ncccc1F.
What is the InChIKey of N-[(3-fluoro-2-pyridinyl)methyl]-2-methylcyclopentan-1-amine?
The InChIKey is PCIFORLYEPZSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-9-4-2-6-11(9)15-8-12-10(13)5-3-7-14-12/h3,5,7,9,11,15H,2,4,6,8H2,1H3.
What are the key properties of N-[(3-fluoro-2-pyridinyl)methyl]-2-methylcyclopentan-1-amine?
N-[(3-fluoro-2-pyridinyl)methyl]-2-methylcyclopentan-1-amine has a molecular weight of 208.28 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-2-pyridinyl)methyl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 115757258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).