N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,3-dimethylcyclopentan-1-amine

C14H21FN2 — CID 103907148

IUPACN-[1-(5-fluoro-3-pyridinyl)ethyl]-3,3-dimethylcyclopentan-1-amine
SMILESCC(NC1CCC(C)(C)C1)c1cncc(F)c1
InChIInChI=1S/C14H21FN2/c1-10(11-6-12(15)9-16-8-11)17-13-4-5-14(2,3)7-13/h6,8-10,13,17H,4-5,7H2,1-3H3
InChIKeyPWQJFDAOOFCCMX-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.45
Rot. Bonds3

About N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,3-dimethylcyclopentan-1-amine

N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,3-dimethylcyclopentan-1-amine (PubChem CID 103907148) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-3,3-dimethylcyclopentan-1-amine
PubChem CID103907148
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-3,3-dimethylcyclopentan-1-amine
SMILESCC(NC1CCC(C)(C)C1)c1cncc(F)c1
InChIInChI=1S/C14H21FN2/c1-10(11-6-12(15)9-16-8-11)17-13-4-5-14(2,3)7-13/h6,8-10,13,17H,4-5,7H2,1-3H3
InChIKeyPWQJFDAOOFCCMX-UHFFFAOYSA-N
XLogP3.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 103776178
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-oxothian-4-amine
CID 114080574
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-propylcyclohexan-1-amine
CID 103778764
3,3-dimethyl-N-[(1R)-1-phenylethyl]cyclopentan-1-amine
CID 81350463
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,3-dimethylcyclohexan-1-amine
CID 81350839
3-[1-(5-fluoro-3-pyridinyl)ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 113372086
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80705092
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylcyclohexan-1-amine
CID 103775342
3,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine
CID 80705463
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 103781018
N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 103788436
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80704998

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,3-dimethylcyclopentan-1-amine (CID 103907148) is N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,3-dimethylcyclopentan-1-amine is CC(NC1CCC(C)(C)C1)c1cncc(F)c1.
What is the InChIKey of N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,3-dimethylcyclopentan-1-amine?
The InChIKey is PWQJFDAOOFCCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-10(11-6-12(15)9-16-8-11)17-13-4-5-14(2,3)7-13/h6,8-10,13,17H,4-5,7H2,1-3H3.
What are the key properties of N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,3-dimethylcyclopentan-1-amine?
N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,3-dimethylcyclopentan-1-amine has a molecular weight of 236.33 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 103907148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).