1-(cyclohepten-1-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine

C13H20F5N — CID 55195514

IUPAC1-(cyclohepten-1-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
SMILESCCCNC(C1=CCCCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H20F5N/c1-2-9-19-11(12(14,15)13(16,17)18)10-7-5-3-4-6-8-10/h7,11,19H,2-6,8-9H2,1H3
InChIKeyDLQSHJMSRDMNHH-UHFFFAOYSA-N
MW285.30 g/mol
LogP4.44
Rot. Bonds5

About 1-(cyclohepten-1-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine

1-(cyclohepten-1-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine (PubChem CID 55195514) has the molecular formula C13H20F5N and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
PubChem CID55195514
Molecular FormulaC13H20F5N
Molecular Weight285.30 g/mol
Exact Mass285.15
IUPAC Name1-(cyclohepten-1-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
SMILESCCCNC(C1=CCCCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H20F5N/c1-2-9-19-11(12(14,15)13(16,17)18)10-7-5-3-4-6-8-10/h7,11,19H,2-6,8-9H2,1H3
InChIKeyDLQSHJMSRDMNHH-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohepten-1-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine
CID 106653570
1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 62078170
1-(cyclohexen-1-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 106654559
1-(cyclohepten-1-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine
CID 79660803
N-[1-(cyclohepten-1-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 106653153
1-(cycloocten-1-yl)-2-methyl-N-propylpentan-1-amine
CID 106656618
N-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
CID 106654416
N-[1-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-1-amine
CID 63505316
N-[cyclohepten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 66477456
N-[cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 106657172
N-[1-(cyclohexen-1-yl)-2,2-dimethoxyethyl]propan-1-amine
CID 106653818
1-[cyclohepten-1-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 106653712

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine?
The IUPAC name of 1-(cyclohepten-1-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine (CID 55195514) is 1-(cyclohepten-1-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine?
The canonical SMILES for 1-(cyclohepten-1-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine is CCCNC(C1=CCCCCC1)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(cyclohepten-1-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine?
The InChIKey is DLQSHJMSRDMNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F5N/c1-2-9-19-11(12(14,15)13(16,17)18)10-7-5-3-4-6-8-10/h7,11,19H,2-6,8-9H2,1H3.
What are the key properties of 1-(cyclohepten-1-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine?
1-(cyclohepten-1-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine has a molecular weight of 285.30 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine is sourced from PubChem (CID 55195514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).