N-(5-fluorohexa-1,4-dienyl)-N-methylcyclopropanamine

C10H16FN — CID 123820949

IUPACN-(5-fluorohexa-1,4-dienyl)-N-methylcyclopropanamine
SMILESCC(F)=CCC=CN(C)C1CC1
InChIInChI=1S/C10H16FN/c1-9(11)5-3-4-8-12(2)10-6-7-10/h4-5,8,10H,3,6-7H2,1-2H3
InChIKeyAPHQHZPWYKGCBS-UHFFFAOYSA-N
MW169.24 g/mol
LogP2.86
Rot. Bonds4

About N-(5-fluorohexa-1,4-dienyl)-N-methylcyclopropanamine

N-(5-fluorohexa-1,4-dienyl)-N-methylcyclopropanamine (PubChem CID 123820949) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is N-(5-fluorohexa-1,4-dienyl)-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-(5-fluorohexa-1,4-dienyl)-N-methylcyclopropanamine
PubChem CID123820949
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC NameN-(5-fluorohexa-1,4-dienyl)-N-methylcyclopropanamine
SMILESCC(F)=CCC=CN(C)C1CC1
InChIInChI=1S/C10H16FN/c1-9(11)5-3-4-8-12(2)10-6-7-10/h4-5,8,10H,3,6-7H2,1-2H3
InChIKeyAPHQHZPWYKGCBS-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluorohexa-1,4-dienyl)-N-methylcyclopropanamine?
The IUPAC name of N-(5-fluorohexa-1,4-dienyl)-N-methylcyclopropanamine (CID 123820949) is N-(5-fluorohexa-1,4-dienyl)-N-methylcyclopropanamine.
What is the SMILES notation for N-(5-fluorohexa-1,4-dienyl)-N-methylcyclopropanamine?
The canonical SMILES for N-(5-fluorohexa-1,4-dienyl)-N-methylcyclopropanamine is CC(F)=CCC=CN(C)C1CC1.
What is the InChIKey of N-(5-fluorohexa-1,4-dienyl)-N-methylcyclopropanamine?
The InChIKey is APHQHZPWYKGCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c1-9(11)5-3-4-8-12(2)10-6-7-10/h4-5,8,10H,3,6-7H2,1-2H3.
What are the key properties of N-(5-fluorohexa-1,4-dienyl)-N-methylcyclopropanamine?
N-(5-fluorohexa-1,4-dienyl)-N-methylcyclopropanamine has a molecular weight of 169.24 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluorohexa-1,4-dienyl)-N-methylcyclopropanamine is sourced from PubChem (CID 123820949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).