1-N-[4-(trifluoromethyl)-2-pyridinyl]cycloheptane-1,2-diamine

C13H18F3N3 — CID 66329078

IUPAC1-N-[4-(trifluoromethyl)-2-pyridinyl]cycloheptane-1,2-diamine
SMILESNC1CCCCCC1Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C13H18F3N3/c14-13(15,16)9-6-7-18-12(8-9)19-11-5-3-1-2-4-10(11)17/h6-8,10-11H,1-5,17H2,(H,18,19)
InChIKeyINZLCSAOHTUHPE-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.17
Rot. Bonds2

About 1-N-[4-(trifluoromethyl)-2-pyridinyl]cycloheptane-1,2-diamine

1-N-[4-(trifluoromethyl)-2-pyridinyl]cycloheptane-1,2-diamine (PubChem CID 66329078) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-N-[4-(trifluoromethyl)-2-pyridinyl]cycloheptane-1,2-diamine.

Molecular Properties

Compound Name1-N-[4-(trifluoromethyl)-2-pyridinyl]cycloheptane-1,2-diamine
PubChem CID66329078
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC Name1-N-[4-(trifluoromethyl)-2-pyridinyl]cycloheptane-1,2-diamine
SMILESNC1CCCCCC1Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C13H18F3N3/c14-13(15,16)9-6-7-18-12(8-9)19-11-5-3-1-2-4-10(11)17/h6-8,10-11H,1-5,17H2,(H,18,19)
InChIKeyINZLCSAOHTUHPE-UHFFFAOYSA-N
XLogP3.17
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Tripelennamine
CID 5587
2-(Benzylamino)pyridine
CID 23362
2-Amino-5-(trifluoromethyl)pyridine
CID 735862
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
Pyridine, 2-benzylamino-, hydrochloride
CID 2830234
1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine
CID 2777786
N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458
N1,N1-Dimethyl-N2-2-pyridinyl-1,2-ethanediamine
CID 90273
1-(Pyridin-2-YL)-1,4-diazepane
CID 2772402
1-(3-Fluoro-2-pyridinyl)piperazine
CID 134987
4-(4,5-dihydro-1H-imidazol-2-yl)pyridine
CID 11159387
N~3~-Benzylpyridine-2,3-diamine
CID 10397869

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(trifluoromethyl)-2-pyridinyl]cycloheptane-1,2-diamine?
The IUPAC name of 1-N-[4-(trifluoromethyl)-2-pyridinyl]cycloheptane-1,2-diamine (CID 66329078) is 1-N-[4-(trifluoromethyl)-2-pyridinyl]cycloheptane-1,2-diamine.
What is the SMILES notation for 1-N-[4-(trifluoromethyl)-2-pyridinyl]cycloheptane-1,2-diamine?
The canonical SMILES for 1-N-[4-(trifluoromethyl)-2-pyridinyl]cycloheptane-1,2-diamine is NC1CCCCCC1Nc1cc(C(F)(F)F)ccn1.
What is the InChIKey of 1-N-[4-(trifluoromethyl)-2-pyridinyl]cycloheptane-1,2-diamine?
The InChIKey is INZLCSAOHTUHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c14-13(15,16)9-6-7-18-12(8-9)19-11-5-3-1-2-4-10(11)17/h6-8,10-11H,1-5,17H2,(H,18,19).
What are the key properties of 1-N-[4-(trifluoromethyl)-2-pyridinyl]cycloheptane-1,2-diamine?
1-N-[4-(trifluoromethyl)-2-pyridinyl]cycloheptane-1,2-diamine has a molecular weight of 273.30 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(trifluoromethyl)-2-pyridinyl]cycloheptane-1,2-diamine is sourced from PubChem (CID 66329078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).