N-cyclopentyl-4-fluorocyclohexa-1,3-dien-1-amine

C11H16FN — CID 145233855

IUPACN-cyclopentyl-4-fluorocyclohexa-1,3-dien-1-amine
SMILESFC1=CC=C(NC2CCCC2)CC1
InChIInChI=1S/C11H16FN/c12-9-5-7-11(8-6-9)13-10-3-1-2-4-10/h5,7,10,13H,1-4,6,8H2
InChIKeyIVQCEVVCKNSKPD-UHFFFAOYSA-N
MW181.25 g/mol
LogP3.05
Rot. Bonds2

About N-cyclopentyl-4-fluorocyclohexa-1,3-dien-1-amine

N-cyclopentyl-4-fluorocyclohexa-1,3-dien-1-amine (PubChem CID 145233855) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is N-cyclopentyl-4-fluorocyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-fluorocyclohexa-1,3-dien-1-amine
PubChem CID145233855
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC NameN-cyclopentyl-4-fluorocyclohexa-1,3-dien-1-amine
SMILESFC1=CC=C(NC2CCCC2)CC1
InChIInChI=1S/C11H16FN/c12-9-5-7-11(8-6-9)13-10-3-1-2-4-10/h5,7,10,13H,1-4,6,8H2
InChIKeyIVQCEVVCKNSKPD-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-pentyl-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole
CID 70124611
N-ethyl-3-fluorocyclohexa-1,3-dien-1-amine
CID 70333081
N-cyclohexyl-4-fluorocyclohexen-1-amine
CID 141536144
4-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-propylcyclohexa-1,3-dien-1-amine
CID 156821650
(4S)-4-N-(2-fluoroethyl)-1-N,1-N-dimethylcyclohexene-1,4-diamine
CID 167068198
(5Z,6E)-N-butyl-5-ethylidene-7-fluoroocta-1,6-dien-2-amine
CID 172369766
N-(cyclopenten-1-yl)cyclohexanamine
CID 14116034
N-[1-(cyclopenten-1-yl)ethenyl]cyclohexanamine
CID 118486410
N-heptan-3-ylcyclohexa-1,3-dien-1-amine
CID 129282137
N-pentan-3-ylcyclohexa-1,3-dien-1-amine
CID 138531740
N-hex-5-enylcyclohexa-1,5-dien-1-amine;molecular hydrogen
CID 144162888
N-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-amine
CID 147926584

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-fluorocyclohexa-1,3-dien-1-amine?
The IUPAC name of N-cyclopentyl-4-fluorocyclohexa-1,3-dien-1-amine (CID 145233855) is N-cyclopentyl-4-fluorocyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N-cyclopentyl-4-fluorocyclohexa-1,3-dien-1-amine?
The canonical SMILES for N-cyclopentyl-4-fluorocyclohexa-1,3-dien-1-amine is FC1=CC=C(NC2CCCC2)CC1.
What is the InChIKey of N-cyclopentyl-4-fluorocyclohexa-1,3-dien-1-amine?
The InChIKey is IVQCEVVCKNSKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c12-9-5-7-11(8-6-9)13-10-3-1-2-4-10/h5,7,10,13H,1-4,6,8H2.
What are the key properties of N-cyclopentyl-4-fluorocyclohexa-1,3-dien-1-amine?
N-cyclopentyl-4-fluorocyclohexa-1,3-dien-1-amine has a molecular weight of 181.25 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-fluorocyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 145233855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).