2-fluoro-N,3-dimethyl-6-(4-methylpentyl)cyclohept-4-en-1-amine

C15H28FN — CID 134389931

IUPAC2-fluoro-N,3-dimethyl-6-(4-methylpentyl)cyclohept-4-en-1-amine
SMILESCNC1CC(CCCC(C)C)C=CC(C)C1F
InChIInChI=1S/C15H28FN/c1-11(2)6-5-7-13-9-8-12(3)15(16)14(10-13)17-4/h8-9,11-15,17H,5-7,10H2,1-4H3
InChIKeyZRCOLYYWRDSGEZ-UHFFFAOYSA-N
MW241.39 g/mol
LogP3.95
Rot. Bonds5

About 2-fluoro-N,3-dimethyl-6-(4-methylpentyl)cyclohept-4-en-1-amine

2-fluoro-N,3-dimethyl-6-(4-methylpentyl)cyclohept-4-en-1-amine (PubChem CID 134389931) has the molecular formula C15H28FN and a molecular weight of 241.39 g/mol. Its IUPAC name is 2-fluoro-N,3-dimethyl-6-(4-methylpentyl)cyclohept-4-en-1-amine.

Molecular Properties

Compound Name2-fluoro-N,3-dimethyl-6-(4-methylpentyl)cyclohept-4-en-1-amine
PubChem CID134389931
Molecular FormulaC15H28FN
Molecular Weight241.39 g/mol
Exact Mass241.22
IUPAC Name2-fluoro-N,3-dimethyl-6-(4-methylpentyl)cyclohept-4-en-1-amine
SMILESCNC1CC(CCCC(C)C)C=CC(C)C1F
InChIInChI=1S/C15H28FN/c1-11(2)6-5-7-13-9-8-12(3)15(16)14(10-13)17-4/h8-9,11-15,17H,5-7,10H2,1-4H3
InChIKeyZRCOLYYWRDSGEZ-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,3-dimethyl-6-(4-methylpentyl)cyclohept-4-en-1-amine?
The IUPAC name of 2-fluoro-N,3-dimethyl-6-(4-methylpentyl)cyclohept-4-en-1-amine (CID 134389931) is 2-fluoro-N,3-dimethyl-6-(4-methylpentyl)cyclohept-4-en-1-amine.
What is the SMILES notation for 2-fluoro-N,3-dimethyl-6-(4-methylpentyl)cyclohept-4-en-1-amine?
The canonical SMILES for 2-fluoro-N,3-dimethyl-6-(4-methylpentyl)cyclohept-4-en-1-amine is CNC1CC(CCCC(C)C)C=CC(C)C1F.
What is the InChIKey of 2-fluoro-N,3-dimethyl-6-(4-methylpentyl)cyclohept-4-en-1-amine?
The InChIKey is ZRCOLYYWRDSGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FN/c1-11(2)6-5-7-13-9-8-12(3)15(16)14(10-13)17-4/h8-9,11-15,17H,5-7,10H2,1-4H3.
What are the key properties of 2-fluoro-N,3-dimethyl-6-(4-methylpentyl)cyclohept-4-en-1-amine?
2-fluoro-N,3-dimethyl-6-(4-methylpentyl)cyclohept-4-en-1-amine has a molecular weight of 241.39 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,3-dimethyl-6-(4-methylpentyl)cyclohept-4-en-1-amine is sourced from PubChem (CID 134389931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).