4-(1-aminoethenyl)-5-fluoro-N,N-dipropylcyclohexa-1,5-dien-1-amine

C14H23FN2 — CID 174244125

IUPAC4-(1-aminoethenyl)-5-fluoro-N,N-dipropylcyclohexa-1,5-dien-1-amine
SMILESC=C(N)C1CC=C(N(CCC)CCC)C=C1F
InChIInChI=1S/C14H23FN2/c1-4-8-17(9-5-2)12-6-7-13(11(3)16)14(15)10-12/h6,10,13H,3-5,7-9,16H2,1-2H3
InChIKeyNPZAQMUUQUIBFA-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.34
Rot. Bonds6

About 4-(1-aminoethenyl)-5-fluoro-N,N-dipropylcyclohexa-1,5-dien-1-amine

4-(1-aminoethenyl)-5-fluoro-N,N-dipropylcyclohexa-1,5-dien-1-amine (PubChem CID 174244125) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 4-(1-aminoethenyl)-5-fluoro-N,N-dipropylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-(1-aminoethenyl)-5-fluoro-N,N-dipropylcyclohexa-1,5-dien-1-amine
PubChem CID174244125
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name4-(1-aminoethenyl)-5-fluoro-N,N-dipropylcyclohexa-1,5-dien-1-amine
SMILESC=C(N)C1CC=C(N(CCC)CCC)C=C1F
InChIInChI=1S/C14H23FN2/c1-4-8-17(9-5-2)12-6-7-13(11(3)16)14(15)10-12/h6,10,13H,3-5,7-9,16H2,1-2H3
InChIKeyNPZAQMUUQUIBFA-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethenyl)-5-fluoro-N,N-dipropylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-(1-aminoethenyl)-5-fluoro-N,N-dipropylcyclohexa-1,5-dien-1-amine (CID 174244125) is 4-(1-aminoethenyl)-5-fluoro-N,N-dipropylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-(1-aminoethenyl)-5-fluoro-N,N-dipropylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-(1-aminoethenyl)-5-fluoro-N,N-dipropylcyclohexa-1,5-dien-1-amine is C=C(N)C1CC=C(N(CCC)CCC)C=C1F.
What is the InChIKey of 4-(1-aminoethenyl)-5-fluoro-N,N-dipropylcyclohexa-1,5-dien-1-amine?
The InChIKey is NPZAQMUUQUIBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-4-8-17(9-5-2)12-6-7-13(11(3)16)14(15)10-12/h6,10,13H,3-5,7-9,16H2,1-2H3.
What are the key properties of 4-(1-aminoethenyl)-5-fluoro-N,N-dipropylcyclohexa-1,5-dien-1-amine?
4-(1-aminoethenyl)-5-fluoro-N,N-dipropylcyclohexa-1,5-dien-1-amine has a molecular weight of 238.35 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethenyl)-5-fluoro-N,N-dipropylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 174244125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).