N-(3-buta-1,3-dien-2-yl-4-fluoroheptyl)-N-ethylcyclopentanamine

C18H32FN — CID 168883353

IUPACN-(3-buta-1,3-dien-2-yl-4-fluoroheptyl)-N-ethylcyclopentanamine
SMILESC=CC(=C)C(CCN(CC)C1CCCC1)C(F)CCC
InChIInChI=1S/C18H32FN/c1-5-10-18(19)17(15(4)6-2)13-14-20(7-3)16-11-8-9-12-16/h6,16-18H,2,4-5,7-14H2,1,3H3
InChIKeyRWFCNQDLGQWFAN-UHFFFAOYSA-N
MW281.46 g/mol
LogP5.14
Rot. Bonds10

About N-(3-buta-1,3-dien-2-yl-4-fluoroheptyl)-N-ethylcyclopentanamine

N-(3-buta-1,3-dien-2-yl-4-fluoroheptyl)-N-ethylcyclopentanamine (PubChem CID 168883353) has the molecular formula C18H32FN and a molecular weight of 281.46 g/mol. Its IUPAC name is N-(3-buta-1,3-dien-2-yl-4-fluoroheptyl)-N-ethylcyclopentanamine.

Molecular Properties

Compound NameN-(3-buta-1,3-dien-2-yl-4-fluoroheptyl)-N-ethylcyclopentanamine
PubChem CID168883353
Molecular FormulaC18H32FN
Molecular Weight281.46 g/mol
Exact Mass281.25
IUPAC NameN-(3-buta-1,3-dien-2-yl-4-fluoroheptyl)-N-ethylcyclopentanamine
SMILESC=CC(=C)C(CCN(CC)C1CCCC1)C(F)CCC
InChIInChI=1S/C18H32FN/c1-5-10-18(19)17(15(4)6-2)13-14-20(7-3)16-11-8-9-12-16/h6,16-18H,2,4-5,7-14H2,1,3H3
InChIKeyRWFCNQDLGQWFAN-UHFFFAOYSA-N
XLogP5.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.46
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-4-fluoro-N,2,4,5,6-pentamethyl-3-methylideneheptan-1-amine
CID 91055953
Butyl-[2-fluoro-1-(3-methylidenecyclopentyl)propan-2-yl]-dimethylazanium
CID 146650902
N-(6-fluorooctan-4-yl)-N-methyl-11-methylidene-7-propyltridec-12-en-6-amine
CID 170075652
N-butyl-N,3-dimethyl-6-methylideneoct-7-en-4-amine
CID 123256934
N,3-dimethyl-6-methylidene-N-propyloct-7-en-4-amine
CID 123459524
(7Z)-N,5-dimethyl-6-methylidene-N-pentyldeca-7,9-dien-2-amine;ethane
CID 144130852
6-methyl-N-(3-methylpent-4-en-2-yl)-N-(4-methylpent-4-enyl)decan-3-amine
CID 156255853
N,3-dimethyl-N-(5-methyl-3-methylidenehex-1-en-2-yl)oct-7-en-4-amine
CID 167004686
N-(3,4-dimethylidenehex-5-enyl)-2-ethyl-N-(2-ethylhexyl)hexan-1-amine
CID 172126431
2-ethyl-N-(2-ethylhexyl)-N-(3-methylidenepent-4-enyl)hexan-1-amine
CID 172126448
N-hexyl-3-methyl-N-(8-methylnon-8-enyl)cyclopentan-1-amine
CID 172581279
N-methyl-N-propan-2-yl-2-prop-2-enylcyclopentan-1-amine
CID 175639504

Frequently Asked Questions

What is the IUPAC name of N-(3-buta-1,3-dien-2-yl-4-fluoroheptyl)-N-ethylcyclopentanamine?
The IUPAC name of N-(3-buta-1,3-dien-2-yl-4-fluoroheptyl)-N-ethylcyclopentanamine (CID 168883353) is N-(3-buta-1,3-dien-2-yl-4-fluoroheptyl)-N-ethylcyclopentanamine.
What is the SMILES notation for N-(3-buta-1,3-dien-2-yl-4-fluoroheptyl)-N-ethylcyclopentanamine?
The canonical SMILES for N-(3-buta-1,3-dien-2-yl-4-fluoroheptyl)-N-ethylcyclopentanamine is C=CC(=C)C(CCN(CC)C1CCCC1)C(F)CCC.
What is the InChIKey of N-(3-buta-1,3-dien-2-yl-4-fluoroheptyl)-N-ethylcyclopentanamine?
The InChIKey is RWFCNQDLGQWFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32FN/c1-5-10-18(19)17(15(4)6-2)13-14-20(7-3)16-11-8-9-12-16/h6,16-18H,2,4-5,7-14H2,1,3H3.
What are the key properties of N-(3-buta-1,3-dien-2-yl-4-fluoroheptyl)-N-ethylcyclopentanamine?
N-(3-buta-1,3-dien-2-yl-4-fluoroheptyl)-N-ethylcyclopentanamine has a molecular weight of 281.46 g/mol, XLogP of 5.14, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-buta-1,3-dien-2-yl-4-fluoroheptyl)-N-ethylcyclopentanamine is sourced from PubChem (CID 168883353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).