3-fluoro-4-[(1-methylcyclopropyl)methyl]-6-propylcyclohex-3-en-1-amine

C14H24FN — CID 130414561

IUPAC3-fluoro-4-[(1-methylcyclopropyl)methyl]-6-propylcyclohex-3-en-1-amine
SMILESCCCC1CC(CC2(C)CC2)=C(F)CC1N
InChIInChI=1S/C14H24FN/c1-3-4-10-7-11(9-14(2)5-6-14)12(15)8-13(10)16/h10,13H,3-9,16H2,1-2H3
InChIKeyGINRBWJHWIANLC-UHFFFAOYSA-N
MW225.35 g/mol
LogP3.94
Rot. Bonds4

About 3-fluoro-4-[(1-methylcyclopropyl)methyl]-6-propylcyclohex-3-en-1-amine

3-fluoro-4-[(1-methylcyclopropyl)methyl]-6-propylcyclohex-3-en-1-amine (PubChem CID 130414561) has the molecular formula C14H24FN and a molecular weight of 225.35 g/mol. Its IUPAC name is 3-fluoro-4-[(1-methylcyclopropyl)methyl]-6-propylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name3-fluoro-4-[(1-methylcyclopropyl)methyl]-6-propylcyclohex-3-en-1-amine
PubChem CID130414561
Molecular FormulaC14H24FN
Molecular Weight225.35 g/mol
Exact Mass225.19
IUPAC Name3-fluoro-4-[(1-methylcyclopropyl)methyl]-6-propylcyclohex-3-en-1-amine
SMILESCCCC1CC(CC2(C)CC2)=C(F)CC1N
InChIInChI=1S/C14H24FN/c1-3-4-10-7-11(9-14(2)5-6-14)12(15)8-13(10)16/h10,13H,3-9,16H2,1-2H3
InChIKeyGINRBWJHWIANLC-UHFFFAOYSA-N
XLogP3.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.35
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(1-methylcyclopropyl)methyl]-6-propylcyclohex-3-en-1-amine?
The IUPAC name of 3-fluoro-4-[(1-methylcyclopropyl)methyl]-6-propylcyclohex-3-en-1-amine (CID 130414561) is 3-fluoro-4-[(1-methylcyclopropyl)methyl]-6-propylcyclohex-3-en-1-amine.
What is the SMILES notation for 3-fluoro-4-[(1-methylcyclopropyl)methyl]-6-propylcyclohex-3-en-1-amine?
The canonical SMILES for 3-fluoro-4-[(1-methylcyclopropyl)methyl]-6-propylcyclohex-3-en-1-amine is CCCC1CC(CC2(C)CC2)=C(F)CC1N.
What is the InChIKey of 3-fluoro-4-[(1-methylcyclopropyl)methyl]-6-propylcyclohex-3-en-1-amine?
The InChIKey is GINRBWJHWIANLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN/c1-3-4-10-7-11(9-14(2)5-6-14)12(15)8-13(10)16/h10,13H,3-9,16H2,1-2H3.
What are the key properties of 3-fluoro-4-[(1-methylcyclopropyl)methyl]-6-propylcyclohex-3-en-1-amine?
3-fluoro-4-[(1-methylcyclopropyl)methyl]-6-propylcyclohex-3-en-1-amine has a molecular weight of 225.35 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(1-methylcyclopropyl)methyl]-6-propylcyclohex-3-en-1-amine is sourced from PubChem (CID 130414561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).