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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Related Compounds

N-ethyl-3-fluorocyclohexa-1,3-dien-1-amine
CID 70333081
5-ethyl-5-fluoro-N-methylcyclohexa-1,3-dien-1-amine
CID 70492008
1-[(5Z,6Z)-5-ethylidene-4-fluoro-6-(3-methylbut-2-enylidene)cyclohexa-1,3-dien-1-yl]-N-methylethenamine
CID 89179384
5-fluoro-N,4-dimethylcyclohexa-1,3-dien-1-amine
CID 89209299
4-fluoro-N,6-dimethylcyclohexa-1,3-dien-1-amine
CID 89357788
(3E,5Z,7Z)-3-ethylidene-N-(2-fluoroethyl)-5,7-dimethyl-4-methylidenenona-1,5,7-trien-2-amine
CID 130349581
(4E)-4-fluoro-N-methyl-3-propan-2-ylidenehexa-1,4-dien-2-amine
CID 134254189
(2E)-2-(2-fluoroethylidene)-4-methyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pent-3-en-1-amine
CID 134291684
(Z,3Z)-7-fluoro-7-methyl-N-prop-1-en-2-yl-3-prop-2-enylideneoct-4-en-1-amine
CID 134302585
(2E,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-2-amine
CID 134365643
(3E)-6-fluoro-N,3-dimethylhexa-1,3-dien-2-amine
CID 134405604
N-[(Z)-5-fluorohex-3-enyl]-4-methylcyclopenta-1,3-dien-1-amine
CID 134466184

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).