3-(4-fluorocyclohex-3-en-1-yl)-N-propylpropan-1-amine

C12H22FN — CID 143703356

IUPAC3-(4-fluorocyclohex-3-en-1-yl)-N-propylpropan-1-amine
SMILESCCCNCCCC1CC=C(F)CC1
InChIInChI=1S/C12H22FN/c1-2-9-14-10-3-4-11-5-7-12(13)8-6-11/h7,11,14H,2-6,8-10H2,1H3
InChIKeyMJFGDSZDPHGXHH-UHFFFAOYSA-N
MW199.31 g/mol
LogP3.42
Rot. Bonds6

About 3-(4-fluorocyclohex-3-en-1-yl)-N-propylpropan-1-amine

3-(4-fluorocyclohex-3-en-1-yl)-N-propylpropan-1-amine (PubChem CID 143703356) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is 3-(4-fluorocyclohex-3-en-1-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(4-fluorocyclohex-3-en-1-yl)-N-propylpropan-1-amine
PubChem CID143703356
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name3-(4-fluorocyclohex-3-en-1-yl)-N-propylpropan-1-amine
SMILESCCCNCCCC1CC=C(F)CC1
InChIInChI=1S/C12H22FN/c1-2-9-14-10-3-4-11-5-7-12(13)8-6-11/h7,11,14H,2-6,8-10H2,1H3
InChIKeyMJFGDSZDPHGXHH-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorocyclohex-3-en-1-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-(4-fluorocyclohex-3-en-1-yl)-N-propylpropan-1-amine (CID 143703356) is 3-(4-fluorocyclohex-3-en-1-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(4-fluorocyclohex-3-en-1-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(4-fluorocyclohex-3-en-1-yl)-N-propylpropan-1-amine is CCCNCCCC1CC=C(F)CC1.
What is the InChIKey of 3-(4-fluorocyclohex-3-en-1-yl)-N-propylpropan-1-amine?
The InChIKey is MJFGDSZDPHGXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN/c1-2-9-14-10-3-4-11-5-7-12(13)8-6-11/h7,11,14H,2-6,8-10H2,1H3.
What are the key properties of 3-(4-fluorocyclohex-3-en-1-yl)-N-propylpropan-1-amine?
3-(4-fluorocyclohex-3-en-1-yl)-N-propylpropan-1-amine has a molecular weight of 199.31 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorocyclohex-3-en-1-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 143703356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).