N-[1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-4-methylcyclohexan-1-amine

C16H24FN — CID 143777843

IUPACN-[1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-4-methylcyclohexan-1-amine
SMILESC=C(NC1CCC(C)CC1)C1(C)C=CC(F)=CC1
InChIInChI=1S/C16H24FN/c1-12-4-6-15(7-5-12)18-13(2)16(3)10-8-14(17)9-11-16/h8-10,12,15,18H,2,4-7,11H2,1,3H3
InChIKeyBQPMKZSSNVDBKB-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.49
Rot. Bonds3

About N-[1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-4-methylcyclohexan-1-amine

N-[1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-4-methylcyclohexan-1-amine (PubChem CID 143777843) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-[1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-4-methylcyclohexan-1-amine
PubChem CID143777843
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-[1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-4-methylcyclohexan-1-amine
SMILESC=C(NC1CCC(C)CC1)C1(C)C=CC(F)=CC1
InChIInChI=1S/C16H24FN/c1-12-4-6-15(7-5-12)18-13(2)16(3)10-8-14(17)9-11-16/h8-10,12,15,18H,2,4-7,11H2,1,3H3
InChIKeyBQPMKZSSNVDBKB-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-4-methylcyclohexan-1-amine?
The IUPAC name of N-[1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-4-methylcyclohexan-1-amine (CID 143777843) is N-[1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-[1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-4-methylcyclohexan-1-amine is C=C(NC1CCC(C)CC1)C1(C)C=CC(F)=CC1.
What is the InChIKey of N-[1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-4-methylcyclohexan-1-amine?
The InChIKey is BQPMKZSSNVDBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-12-4-6-15(7-5-12)18-13(2)16(3)10-8-14(17)9-11-16/h8-10,12,15,18H,2,4-7,11H2,1,3H3.
What are the key properties of N-[1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-4-methylcyclohexan-1-amine?
N-[1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-4-methylcyclohexan-1-amine has a molecular weight of 249.37 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 143777843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).