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N-butan-2-yl-5-butan-2-ylidene-3-fluoro-6-methylcyclohexa-1,3-dien-1-amine

C15H24FN — CID 153346119

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-butan-2-yl-5-butan-2-ylidene-3-fluoro-6-methylcyclohexa-1,3-dien-1-amine
SMILESCCC(C)=C1C=C(F)C=C(NC(C)CC)C1C
InChIInChI=1S/C15H24FN/c1-6-10(3)14-8-13(16)9-15(12(14)5)17-11(4)7-2/h8-9,11-12,17H,6-7H2,1-5H3
InChIKeyFZKBUTOBBFXOEU-UHFFFAOYSA-N
MW237.36 g/mol
LogP4.49
Rot. Bonds4

About N-butan-2-yl-5-butan-2-ylidene-3-fluoro-6-methylcyclohexa-1,3-dien-1-amine

N-butan-2-yl-5-butan-2-ylidene-3-fluoro-6-methylcyclohexa-1,3-dien-1-amine (PubChem CID 153346119) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is N-butan-2-yl-5-butan-2-ylidene-3-fluoro-6-methylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-5-butan-2-ylidene-3-fluoro-6-methylcyclohexa-1,3-dien-1-amine
PubChem CID153346119
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC NameN-butan-2-yl-5-butan-2-ylidene-3-fluoro-6-methylcyclohexa-1,3-dien-1-amine
SMILESCCC(C)=C1C=C(F)C=C(NC(C)CC)C1C
InChIInChI=1S/C15H24FN/c1-6-10(3)14-8-13(16)9-15(12(14)5)17-11(4)7-2/h8-9,11-12,17H,6-7H2,1-5H3
InChIKeyFZKBUTOBBFXOEU-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
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-butan-2-yl-5-butan-2-ylidene-3-fluoro-6-methylcyclohexa-1,3-dien-1-amine?
The IUPAC name of N-butan-2-yl-5-butan-2-ylidene-3-fluoro-6-methylcyclohexa-1,3-dien-1-amine (CID 153346119) is N-butan-2-yl-5-butan-2-ylidene-3-fluoro-6-methylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N-butan-2-yl-5-butan-2-ylidene-3-fluoro-6-methylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for N-butan-2-yl-5-butan-2-ylidene-3-fluoro-6-methylcyclohexa-1,3-dien-1-amine is CCC(C)=C1C=C(F)C=C(NC(C)CC)C1C.
What is the InChIKey of N-butan-2-yl-5-butan-2-ylidene-3-fluoro-6-methylcyclohexa-1,3-dien-1-amine?
The InChIKey is FZKBUTOBBFXOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-6-10(3)14-8-13(16)9-15(12(14)5)17-11(4)7-2/h8-9,11-12,17H,6-7H2,1-5H3.
What are the key properties of N-butan-2-yl-5-butan-2-ylidene-3-fluoro-6-methylcyclohexa-1,3-dien-1-amine?
N-butan-2-yl-5-butan-2-ylidene-3-fluoro-6-methylcyclohexa-1,3-dien-1-amine has a molecular weight of 237.36 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-butan-2-ylidene-3-fluoro-6-methylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 153346119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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