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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Related Compounds

(4R,6Z,8E)-6-ethyl-8-fluoro-4-methyl-N-[(4Z,6Z)-6-methyl-3-methylideneocta-4,6-dien-2-yl]undeca-1,6,8,10-tetraen-2-amine
CID 88997990
4-[[1-[3,5-Bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethenylamino]methyl]cyclohexan-1-amine
CID 89119274
3-N-(4,4-dimethylpent-1-en-2-yl)-2-N-[(2Z,4Z,8Z,9E)-3-fluoro-10-methyl-6-methylidene-5-prop-1-en-2-yl-8-prop-2-enylidenepentadeca-2,4,9-trien-2-yl]-4-methylhexane-2,3-diamine
CID 134187748
N-ethenyl-6-(3-fluorocyclohexa-2,4-dien-1-yl)-2,2-dimethylheptan-3-amine
CID 138494382
4-fluoro-2-methyl-N-(4-methylcyclohexyl)cyclohepta-1,3,5-trien-1-amine
CID 143189826
3-fluoro-4-N,3-bis(2-methylpropyl)cyclohexa-1,5-diene-1,4-diamine
CID 152025024
N-[(3Z)-6-ethyl-4-[(E)-4-fluoro-4-methylpent-2-en-3-yl]octa-1,3-dien-2-yl]cyclohexanamine
CID 156099488
(3E,5Z)-N-[3-[(1S)-3-[(Z)-but-1-enyl]-1-methylcyclobut-2-en-1-yl]propyl]-7-fluoro-2-methylocta-1,3,5-trien-4-amine
CID 156519348
(5S)-6-fluoro-5-methyl-N-propan-2-yl-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine
CID 164155149
(1S)-3-fluoro-1-methyl-N-[1-[(4R)-4-(methylamino)cyclohex-2-en-1-yl]ethenyl]cyclohexa-2,4-dien-1-amine
CID 173481340
4-Methyl-4-neopentyl-2-propyltetrahydroquinoline
CID 139220214
N-[(1E)-5-fluorohepta-1,3,6-trienyl]-4-methylcyclohexan-1-amine
CID 143189841

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).