2-[3-(dimethylamino)-2-methylpropyl]-N-ethenyl-4-fluoro-3-methylcyclohexen-1-amine

C15H27FN2 — CID 167204972

IUPAC2-[3-(dimethylamino)-2-methylpropyl]-N-ethenyl-4-fluoro-3-methylcyclohexen-1-amine
SMILESC=CNC1=C(CC(C)CN(C)C)C(C)C(F)CC1
InChIInChI=1S/C15H27FN2/c1-6-17-15-8-7-14(16)12(3)13(15)9-11(2)10-18(4)5/h6,11-12,14,17H,1,7-10H2,2-5H3
InChIKeyFDGGFSJMTVKHFF-UHFFFAOYSA-N
MW254.39 g/mol
LogP3.33
Rot. Bonds6

About 2-[3-(dimethylamino)-2-methylpropyl]-N-ethenyl-4-fluoro-3-methylcyclohexen-1-amine

2-[3-(dimethylamino)-2-methylpropyl]-N-ethenyl-4-fluoro-3-methylcyclohexen-1-amine (PubChem CID 167204972) has the molecular formula C15H27FN2 and a molecular weight of 254.39 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-2-methylpropyl]-N-ethenyl-4-fluoro-3-methylcyclohexen-1-amine.

Molecular Properties

Compound Name2-[3-(dimethylamino)-2-methylpropyl]-N-ethenyl-4-fluoro-3-methylcyclohexen-1-amine
PubChem CID167204972
Molecular FormulaC15H27FN2
Molecular Weight254.39 g/mol
Exact Mass254.22
IUPAC Name2-[3-(dimethylamino)-2-methylpropyl]-N-ethenyl-4-fluoro-3-methylcyclohexen-1-amine
SMILESC=CNC1=C(CC(C)CN(C)C)C(C)C(F)CC1
InChIInChI=1S/C15H27FN2/c1-6-17-15-8-7-14(16)12(3)13(15)9-11(2)10-18(4)5/h6,11-12,14,17H,1,7-10H2,2-5H3
InChIKeyFDGGFSJMTVKHFF-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)-2-methylpropyl]-N-ethenyl-4-fluoro-3-methylcyclohexen-1-amine?
The IUPAC name of 2-[3-(dimethylamino)-2-methylpropyl]-N-ethenyl-4-fluoro-3-methylcyclohexen-1-amine (CID 167204972) is 2-[3-(dimethylamino)-2-methylpropyl]-N-ethenyl-4-fluoro-3-methylcyclohexen-1-amine.
What is the SMILES notation for 2-[3-(dimethylamino)-2-methylpropyl]-N-ethenyl-4-fluoro-3-methylcyclohexen-1-amine?
The canonical SMILES for 2-[3-(dimethylamino)-2-methylpropyl]-N-ethenyl-4-fluoro-3-methylcyclohexen-1-amine is C=CNC1=C(CC(C)CN(C)C)C(C)C(F)CC1.
What is the InChIKey of 2-[3-(dimethylamino)-2-methylpropyl]-N-ethenyl-4-fluoro-3-methylcyclohexen-1-amine?
The InChIKey is FDGGFSJMTVKHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27FN2/c1-6-17-15-8-7-14(16)12(3)13(15)9-11(2)10-18(4)5/h6,11-12,14,17H,1,7-10H2,2-5H3.
What are the key properties of 2-[3-(dimethylamino)-2-methylpropyl]-N-ethenyl-4-fluoro-3-methylcyclohexen-1-amine?
2-[3-(dimethylamino)-2-methylpropyl]-N-ethenyl-4-fluoro-3-methylcyclohexen-1-amine has a molecular weight of 254.39 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-2-methylpropyl]-N-ethenyl-4-fluoro-3-methylcyclohexen-1-amine is sourced from PubChem (CID 167204972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).