4-methyl-4-prop-2-enyl-N-(8,8,8-trifluorooctyl)hept-6-en-2-amine

C19H34F3N — CID 166059864

IUPAC4-methyl-4-prop-2-enyl-N-(8,8,8-trifluorooctyl)hept-6-en-2-amine
SMILESC=CCC(C)(CC=C)CC(C)NCCCCCCCC(F)(F)F
InChIInChI=1S/C19H34F3N/c1-5-12-18(4,13-6-2)16-17(3)23-15-11-9-7-8-10-14-19(20,21)22/h5-6,17,23H,1-2,7-16H2,3-4H3
InChIKeyPCYFZGIGJGUYFB-UHFFFAOYSA-N
MW333.48 g/mol
LogP6.42
Rot. Bonds14

About 4-methyl-4-prop-2-enyl-N-(8,8,8-trifluorooctyl)hept-6-en-2-amine

4-methyl-4-prop-2-enyl-N-(8,8,8-trifluorooctyl)hept-6-en-2-amine (PubChem CID 166059864) has the molecular formula C19H34F3N and a molecular weight of 333.48 g/mol. Its IUPAC name is 4-methyl-4-prop-2-enyl-N-(8,8,8-trifluorooctyl)hept-6-en-2-amine.

Molecular Properties

Compound Name4-methyl-4-prop-2-enyl-N-(8,8,8-trifluorooctyl)hept-6-en-2-amine
PubChem CID166059864
Molecular FormulaC19H34F3N
Molecular Weight333.48 g/mol
Exact Mass333.26
IUPAC Name4-methyl-4-prop-2-enyl-N-(8,8,8-trifluorooctyl)hept-6-en-2-amine
SMILESC=CCC(C)(CC=C)CC(C)NCCCCCCCC(F)(F)F
InChIInChI=1S/C19H34F3N/c1-5-12-18(4,13-6-2)16-17(3)23-15-11-9-7-8-10-14-19(20,21)22/h5-6,17,23H,1-2,7-16H2,3-4H3
InChIKeyPCYFZGIGJGUYFB-UHFFFAOYSA-N
XLogP6.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-prop-2-enyl-N-(8,8,8-trifluorooctyl)hept-6-en-2-amine?
The IUPAC name of 4-methyl-4-prop-2-enyl-N-(8,8,8-trifluorooctyl)hept-6-en-2-amine (CID 166059864) is 4-methyl-4-prop-2-enyl-N-(8,8,8-trifluorooctyl)hept-6-en-2-amine.
What is the SMILES notation for 4-methyl-4-prop-2-enyl-N-(8,8,8-trifluorooctyl)hept-6-en-2-amine?
The canonical SMILES for 4-methyl-4-prop-2-enyl-N-(8,8,8-trifluorooctyl)hept-6-en-2-amine is C=CCC(C)(CC=C)CC(C)NCCCCCCCC(F)(F)F.
What is the InChIKey of 4-methyl-4-prop-2-enyl-N-(8,8,8-trifluorooctyl)hept-6-en-2-amine?
The InChIKey is PCYFZGIGJGUYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34F3N/c1-5-12-18(4,13-6-2)16-17(3)23-15-11-9-7-8-10-14-19(20,21)22/h5-6,17,23H,1-2,7-16H2,3-4H3.
What are the key properties of 4-methyl-4-prop-2-enyl-N-(8,8,8-trifluorooctyl)hept-6-en-2-amine?
4-methyl-4-prop-2-enyl-N-(8,8,8-trifluorooctyl)hept-6-en-2-amine has a molecular weight of 333.48 g/mol, XLogP of 6.42, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-prop-2-enyl-N-(8,8,8-trifluorooctyl)hept-6-en-2-amine is sourced from PubChem (CID 166059864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).