N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-fluoropyridin-2-amine

C14H19FN2 — CID 103277143

IUPACN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-fluoropyridin-2-amine
SMILESCC1=CC(C)CC(CNc2cccc(F)n2)C1
InChIInChI=1S/C14H19FN2/c1-10-6-11(2)8-12(7-10)9-16-14-5-3-4-13(15)17-14/h3-6,10,12H,7-9H2,1-2H3,(H,16,17)
InChIKeyGYPQPTNVGUSSKK-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.62
Rot. Bonds3

About N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-fluoropyridin-2-amine

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-fluoropyridin-2-amine (PubChem CID 103277143) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-fluoropyridin-2-amine
PubChem CID103277143
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-fluoropyridin-2-amine
SMILESCC1=CC(C)CC(CNc2cccc(F)n2)C1
InChIInChI=1S/C14H19FN2/c1-10-6-11(2)8-12(7-10)9-16-14-5-3-4-13(15)17-14/h3-6,10,12H,7-9H2,1-2H3,(H,16,17)
InChIKeyGYPQPTNVGUSSKK-UHFFFAOYSA-N
XLogP3.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.62
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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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-fluoropyridin-2-amine?
The IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-fluoropyridin-2-amine (CID 103277143) is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-fluoropyridin-2-amine.
What is the SMILES notation for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-fluoropyridin-2-amine?
The canonical SMILES for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-fluoropyridin-2-amine is CC1=CC(C)CC(CNc2cccc(F)n2)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-fluoropyridin-2-amine?
The InChIKey is GYPQPTNVGUSSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c1-10-6-11(2)8-12(7-10)9-16-14-5-3-4-13(15)17-14/h3-6,10,12H,7-9H2,1-2H3,(H,16,17).
What are the key properties of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-fluoropyridin-2-amine?
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-fluoropyridin-2-amine has a molecular weight of 234.32 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-fluoropyridin-2-amine is sourced from PubChem (CID 103277143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).