(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanamine

C12H17FN2 — CID 105038093

IUPAC(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanamine
SMILESCC1(C(N)c2ccncc2F)CCCC1
InChIInChI=1S/C12H17FN2/c1-12(5-2-3-6-12)11(14)9-4-7-15-8-10(9)13/h4,7-8,11H,2-3,5-6,14H2,1H3
InChIKeyHQHGSZIEIRSCMP-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.80
Rot. Bonds2

About (3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanamine

(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanamine (PubChem CID 105038093) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanamine.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanamine
PubChem CID105038093
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanamine
SMILESCC1(C(N)c2ccncc2F)CCCC1
InChIInChI=1S/C12H17FN2/c1-12(5-2-3-6-12)11(14)9-4-7-15-8-10(9)13/h4,7-8,11H,2-3,5-6,14H2,1H3
InChIKeyHQHGSZIEIRSCMP-UHFFFAOYSA-N
XLogP2.80
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[amino-(3-fluoro-4-pyridinyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 113447269
(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanol
CID 115834007
N-[(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 105038430
(1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-pyridinyl)methanamine
CID 116768147
1-[ethylamino-(3-fluoro-4-pyridinyl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 104738479
1-(3-fluoro-4-pyridinyl)ethanethiol
CID 89277032
2-(3-fluoro-4-pyridinyl)propan-1-amine
CID 84649949
1-(3-fluoro-4-pyridinyl)prop-2-en-1-amine
CID 55295239
(3-fluoro-4-pyridinyl)-(5-methylpyrazin-2-yl)methanamine
CID 105182010
[(3-fluoro-4-pyridinyl)-(1-piperidin-1-ylcyclopentyl)methyl]hydrazine
CID 105242982
(1S)-2-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanamine
CID 130679719
1-(3-fluoro-4-pyridinyl)-2,2-dimethylbutan-1-amine
CID 105038344

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanamine?
The IUPAC name of (3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanamine (CID 105038093) is (3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanamine.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanamine?
The canonical SMILES for (3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanamine is CC1(C(N)c2ccncc2F)CCCC1.
What is the InChIKey of (3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanamine?
The InChIKey is HQHGSZIEIRSCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-12(5-2-3-6-12)11(14)9-4-7-15-8-10(9)13/h4,7-8,11H,2-3,5-6,14H2,1H3.
What are the key properties of (3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanamine?
(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanamine has a molecular weight of 208.28 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanamine is sourced from PubChem (CID 105038093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).