N-[4-(trifluoromethyl)-2-pyridinyl]azepan-4-amine

C12H16F3N3 — CID 107173809

IUPACN-[4-(trifluoromethyl)-2-pyridinyl]azepan-4-amine
SMILESFC(F)(F)c1ccnc(NC2CCCNCC2)c1
InChIInChI=1S/C12H16F3N3/c13-12(14,15)9-3-7-17-11(8-9)18-10-2-1-5-16-6-4-10/h3,7-8,10,16H,1-2,4-6H2,(H,17,18)
InChIKeyACRLDNXYMUEQSQ-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.65
Rot. Bonds2

About N-[4-(trifluoromethyl)-2-pyridinyl]azepan-4-amine

N-[4-(trifluoromethyl)-2-pyridinyl]azepan-4-amine (PubChem CID 107173809) has the molecular formula C12H16F3N3 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)-2-pyridinyl]azepan-4-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)-2-pyridinyl]azepan-4-amine
PubChem CID107173809
Molecular FormulaC12H16F3N3
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC NameN-[4-(trifluoromethyl)-2-pyridinyl]azepan-4-amine
SMILESFC(F)(F)c1ccnc(NC2CCCNCC2)c1
InChIInChI=1S/C12H16F3N3/c13-12(14,15)9-3-7-17-11(8-9)18-10-2-1-5-16-6-4-10/h3,7-8,10,16H,1-2,4-6H2,(H,17,18)
InChIKeyACRLDNXYMUEQSQ-UHFFFAOYSA-N
XLogP2.65
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(trifluoromethyl)-2-pyridinyl]azepan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 122441469
N-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine
CID 66331048
N-piperidin-4-yl-5-(trifluoromethyl)pyridin-2-amine;trihydrochloride
CID 86276661
N-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 66329255
2-piperidin-4-yl-4-(trifluoromethyl)pyridine
CID 18413985
N-(1-oxaspiro[5.5]undecan-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 133377961
2-piperidin-4-yloxy-4-(trifluoromethyl)pyridine
CID 66330077
4-methoxy-N-piperidin-4-ylpyridin-2-amine
CID 11458426
1-N-[4-(trifluoromethyl)-2-pyridinyl]cycloheptane-1,2-diamine
CID 66329078
N-pyridazin-3-ylazepan-4-amine
CID 107173783
N-piperidin-4-yl-4-[(Z)-prop-1-enyl]pyridin-2-amine
CID 145392617
2-methyl-N-[[4-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide
CID 59231622

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)-2-pyridinyl]azepan-4-amine?
The IUPAC name of N-[4-(trifluoromethyl)-2-pyridinyl]azepan-4-amine (CID 107173809) is N-[4-(trifluoromethyl)-2-pyridinyl]azepan-4-amine.
What is the SMILES notation for N-[4-(trifluoromethyl)-2-pyridinyl]azepan-4-amine?
The canonical SMILES for N-[4-(trifluoromethyl)-2-pyridinyl]azepan-4-amine is FC(F)(F)c1ccnc(NC2CCCNCC2)c1.
What is the InChIKey of N-[4-(trifluoromethyl)-2-pyridinyl]azepan-4-amine?
The InChIKey is ACRLDNXYMUEQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3/c13-12(14,15)9-3-7-17-11(8-9)18-10-2-1-5-16-6-4-10/h3,7-8,10,16H,1-2,4-6H2,(H,17,18).
What are the key properties of N-[4-(trifluoromethyl)-2-pyridinyl]azepan-4-amine?
N-[4-(trifluoromethyl)-2-pyridinyl]azepan-4-amine has a molecular weight of 259.27 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)-2-pyridinyl]azepan-4-amine is sourced from PubChem (CID 107173809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).