N-[1-(5-fluoro-2-pyridinyl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine

C15H20F4N2 — CID 115938586

IUPACN-[1-(5-fluoro-2-pyridinyl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCC(NC1CCC(C(F)(F)F)CC1)c1ccc(F)cn1
InChIInChI=1S/C15H20F4N2/c1-2-13(14-8-5-11(16)9-20-14)21-12-6-3-10(4-7-12)15(17,18)19/h5,8-10,12-13,21H,2-4,6-7H2,1H3
InChIKeyLMFQTEIMACZYHQ-UHFFFAOYSA-N
MW304.33 g/mol
LogP4.38
Rot. Bonds4

About N-[1-(5-fluoro-2-pyridinyl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine

N-[1-(5-fluoro-2-pyridinyl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 115938586) has the molecular formula C15H20F4N2 and a molecular weight of 304.33 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID115938586
Molecular FormulaC15H20F4N2
Molecular Weight304.33 g/mol
Exact Mass304.16
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCC(NC1CCC(C(F)(F)F)CC1)c1ccc(F)cn1
InChIInChI=1S/C15H20F4N2/c1-2-13(14-8-5-11(16)9-20-14)21-12-6-3-10(4-7-12)15(17,18)19/h5,8-10,12-13,21H,2-4,6-7H2,1H3
InChIKeyLMFQTEIMACZYHQ-UHFFFAOYSA-N
XLogP4.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 115938586) is N-[1-(5-fluoro-2-pyridinyl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine is CCC(NC1CCC(C(F)(F)F)CC1)c1ccc(F)cn1.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is LMFQTEIMACZYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4N2/c1-2-13(14-8-5-11(16)9-20-14)21-12-6-3-10(4-7-12)15(17,18)19/h5,8-10,12-13,21H,2-4,6-7H2,1H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[1-(5-fluoro-2-pyridinyl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 304.33 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-pyridinyl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 115938586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).