N-[2-(cyclohexen-1-yl)ethyl]-3,5,6-trifluoropyridin-2-amine

C13H15F3N2 — CID 106193803

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3,5,6-trifluoropyridin-2-amine
SMILESFc1cc(F)c(NCCC2=CCCCC2)nc1F
InChIInChI=1S/C13H15F3N2/c14-10-8-11(15)13(18-12(10)16)17-7-6-9-4-2-1-3-5-9/h4,8H,1-3,5-7H2,(H,17,18)
InChIKeyJVWKCWYFEXGHAR-UHFFFAOYSA-N
MW256.27 g/mol
LogP3.80
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-3,5,6-trifluoropyridin-2-amine

N-[2-(cyclohexen-1-yl)ethyl]-3,5,6-trifluoropyridin-2-amine (PubChem CID 106193803) has the molecular formula C13H15F3N2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3,5,6-trifluoropyridin-2-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3,5,6-trifluoropyridin-2-amine
PubChem CID106193803
Molecular FormulaC13H15F3N2
Molecular Weight256.27 g/mol
Exact Mass256.12
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3,5,6-trifluoropyridin-2-amine
SMILESFc1cc(F)c(NCCC2=CCCCC2)nc1F
InChIInChI=1S/C13H15F3N2/c14-10-8-11(15)13(18-12(10)16)17-7-6-9-4-2-1-3-5-9/h4,8H,1-3,5-7H2,(H,17,18)
InChIKeyJVWKCWYFEXGHAR-UHFFFAOYSA-N
XLogP3.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluoropyridin-2-amine
CID 104925005
3,5,6-trifluoro-N-(2-fluoroethyl)pyridin-2-amine
CID 130504829
3,5,6-trifluoro-N-(2-phenylethyl)pyridin-2-amine
CID 114072372
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-fluorophenyl)quinazolin-4-amine
CID 3693865
2-[2-(cyclohexen-1-yl)ethylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63510279
4-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4,5,6-triamine
CID 19137103
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-cyclopropyl-6-methylpyrimidine-2,4-diamine
CID 112907398
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112911199
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112911170
2-N-[2-(cyclohexen-1-yl)ethyl]-3,4-difluorobenzene-1,2-diamine
CID 114008342
3-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carbonitrile
CID 55110800
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 82460857

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3,5,6-trifluoropyridin-2-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3,5,6-trifluoropyridin-2-amine (CID 106193803) is N-[2-(cyclohexen-1-yl)ethyl]-3,5,6-trifluoropyridin-2-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3,5,6-trifluoropyridin-2-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3,5,6-trifluoropyridin-2-amine is Fc1cc(F)c(NCCC2=CCCCC2)nc1F.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3,5,6-trifluoropyridin-2-amine?
The InChIKey is JVWKCWYFEXGHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2/c14-10-8-11(15)13(18-12(10)16)17-7-6-9-4-2-1-3-5-9/h4,8H,1-3,5-7H2,(H,17,18).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3,5,6-trifluoropyridin-2-amine?
N-[2-(cyclohexen-1-yl)ethyl]-3,5,6-trifluoropyridin-2-amine has a molecular weight of 256.27 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3,5,6-trifluoropyridin-2-amine is sourced from PubChem (CID 106193803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).