4-methyl-4-prop-2-enyl-N-(3,3,3-trifluoropropyl)hept-6-en-2-amine

C14H24F3N — CID 166059860

IUPAC4-methyl-4-prop-2-enyl-N-(3,3,3-trifluoropropyl)hept-6-en-2-amine
SMILESC=CCC(C)(CC=C)CC(C)NCCC(F)(F)F
InChIInChI=1S/C14H24F3N/c1-5-7-13(4,8-6-2)11-12(3)18-10-9-14(15,16)17/h5-6,12,18H,1-2,7-11H2,3-4H3
InChIKeyCCFZUTUNUMPCGW-UHFFFAOYSA-N
MW263.35 g/mol
LogP4.47
Rot. Bonds9

About 4-methyl-4-prop-2-enyl-N-(3,3,3-trifluoropropyl)hept-6-en-2-amine

4-methyl-4-prop-2-enyl-N-(3,3,3-trifluoropropyl)hept-6-en-2-amine (PubChem CID 166059860) has the molecular formula C14H24F3N and a molecular weight of 263.35 g/mol. Its IUPAC name is 4-methyl-4-prop-2-enyl-N-(3,3,3-trifluoropropyl)hept-6-en-2-amine.

Molecular Properties

Compound Name4-methyl-4-prop-2-enyl-N-(3,3,3-trifluoropropyl)hept-6-en-2-amine
PubChem CID166059860
Molecular FormulaC14H24F3N
Molecular Weight263.35 g/mol
Exact Mass263.19
IUPAC Name4-methyl-4-prop-2-enyl-N-(3,3,3-trifluoropropyl)hept-6-en-2-amine
SMILESC=CCC(C)(CC=C)CC(C)NCCC(F)(F)F
InChIInChI=1S/C14H24F3N/c1-5-7-13(4,8-6-2)11-12(3)18-10-9-14(15,16)17/h5-6,12,18H,1-2,7-11H2,3-4H3
InChIKeyCCFZUTUNUMPCGW-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-(3,3,3-trifluoropropyl)hept-6-en-2-amine?
The IUPAC name of 4-methyl-4-prop-2-enyl-N-(3,3,3-trifluoropropyl)hept-6-en-2-amine (CID 166059860) is 4-methyl-4-prop-2-enyl-N-(3,3,3-trifluoropropyl)hept-6-en-2-amine.
What is the SMILES notation for 4-methyl-4-prop-2-enyl-N-(3,3,3-trifluoropropyl)hept-6-en-2-amine?
The canonical SMILES for 4-methyl-4-prop-2-enyl-N-(3,3,3-trifluoropropyl)hept-6-en-2-amine is C=CCC(C)(CC=C)CC(C)NCCC(F)(F)F.
What is the InChIKey of 4-methyl-4-prop-2-enyl-N-(3,3,3-trifluoropropyl)hept-6-en-2-amine?
The InChIKey is CCFZUTUNUMPCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N/c1-5-7-13(4,8-6-2)11-12(3)18-10-9-14(15,16)17/h5-6,12,18H,1-2,7-11H2,3-4H3.
What are the key properties of 4-methyl-4-prop-2-enyl-N-(3,3,3-trifluoropropyl)hept-6-en-2-amine?
4-methyl-4-prop-2-enyl-N-(3,3,3-trifluoropropyl)hept-6-en-2-amine has a molecular weight of 263.35 g/mol, XLogP of 4.47, 9 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-(3,3,3-trifluoropropyl)hept-6-en-2-amine is sourced from PubChem (CID 166059860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).