4-fluoro-N-methyl-3-propylcyclohexa-1,3-dien-1-amine

C10H16FN — CID 167224366

IUPAC4-fluoro-N-methyl-3-propylcyclohexa-1,3-dien-1-amine
SMILESCCCC1=C(F)CCC(NC)=C1
InChIInChI=1S/C10H16FN/c1-3-4-8-7-9(12-2)5-6-10(8)11/h7,12H,3-6H2,1-2H3
InChIKeyXTYJFEJHOSABKI-UHFFFAOYSA-N
MW169.24 g/mol
LogP2.91
Rot. Bonds3

About 4-fluoro-N-methyl-3-propylcyclohexa-1,3-dien-1-amine

4-fluoro-N-methyl-3-propylcyclohexa-1,3-dien-1-amine (PubChem CID 167224366) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 4-fluoro-N-methyl-3-propylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-fluoro-N-methyl-3-propylcyclohexa-1,3-dien-1-amine
PubChem CID167224366
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name4-fluoro-N-methyl-3-propylcyclohexa-1,3-dien-1-amine
SMILESCCCC1=C(F)CCC(NC)=C1
InChIInChI=1S/C10H16FN/c1-3-4-8-7-9(12-2)5-6-10(8)11/h7,12H,3-6H2,1-2H3
InChIKeyXTYJFEJHOSABKI-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-3-propylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-fluoro-N-methyl-3-propylcyclohexa-1,3-dien-1-amine (CID 167224366) is 4-fluoro-N-methyl-3-propylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-fluoro-N-methyl-3-propylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-fluoro-N-methyl-3-propylcyclohexa-1,3-dien-1-amine is CCCC1=C(F)CCC(NC)=C1.
What is the InChIKey of 4-fluoro-N-methyl-3-propylcyclohexa-1,3-dien-1-amine?
The InChIKey is XTYJFEJHOSABKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c1-3-4-8-7-9(12-2)5-6-10(8)11/h7,12H,3-6H2,1-2H3.
What are the key properties of 4-fluoro-N-methyl-3-propylcyclohexa-1,3-dien-1-amine?
4-fluoro-N-methyl-3-propylcyclohexa-1,3-dien-1-amine has a molecular weight of 169.24 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-3-propylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 167224366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).