N-[cyclohexen-1-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine

C15H21FN2 — CID 106653894

IUPACN-[cyclohexen-1-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCC1)c1ccc(F)cn1
InChIInChI=1S/C15H21FN2/c1-2-10-17-15(12-6-4-3-5-7-12)14-9-8-13(16)11-18-14/h6,8-9,11,15,17H,2-5,7,10H2,1H3
InChIKeyDOOGTUNHMILGBV-UHFFFAOYSA-N
MW248.34 g/mol
LogP3.76
Rot. Bonds5

About N-[cyclohexen-1-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine

N-[cyclohexen-1-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine (PubChem CID 106653894) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is N-[cyclohexen-1-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohexen-1-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
PubChem CID106653894
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC NameN-[cyclohexen-1-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCC1)c1ccc(F)cn1
InChIInChI=1S/C15H21FN2/c1-2-10-17-15(12-6-4-3-5-7-12)14-9-8-13(16)11-18-14/h6,8-9,11,15,17H,2-5,7,10H2,1H3
InChIKeyDOOGTUNHMILGBV-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[cyclohexen-1-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-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-[cyclohexen-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106657274
N-[[(1E)-cycloocten-1-yl]-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 106656613
N-[cyclohepten-1-yl-(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 106652963
N-[cyclohexen-1-yl-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 81477478
N-[(2,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 79713772
N-[(2-fluoro-5-methylphenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 79712894
N-[cyclohexen-1-yl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 106654794
N-[cyclopenten-1-yl(1,3-thiazol-4-yl)methyl]propan-1-amine
CID 114987412
N-[(3-bromo-5-fluorophenyl)-[(1E)-cycloocten-1-yl]methyl]propan-1-amine
CID 106653510
N-[(3-bromo-2-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 106645887
N-[cyclohexen-1-yl-(2-fluoro-6-methoxyphenyl)methyl]propan-1-amine
CID 65433819
N-[(3,4-dichlorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 79713087

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexen-1-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohexen-1-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine (CID 106653894) is N-[cyclohexen-1-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohexen-1-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohexen-1-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine is CCCNC(C1=CCCCC1)c1ccc(F)cn1.
What is the InChIKey of N-[cyclohexen-1-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine?
The InChIKey is DOOGTUNHMILGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c1-2-10-17-15(12-6-4-3-5-7-12)14-9-8-13(16)11-18-14/h6,8-9,11,15,17H,2-5,7,10H2,1H3.
What are the key properties of N-[cyclohexen-1-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine?
N-[cyclohexen-1-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine has a molecular weight of 248.34 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexen-1-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 106653894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).