3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine

C15H26F3N — CID 105162995

IUPAC3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
SMILESC=C(C)CC(NCCC)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H26F3N/c1-4-8-19-14(9-11(2)3)12-6-5-7-13(10-12)15(16,17)18/h12-14,19H,2,4-10H2,1,3H3
InChIKeyANXUQWTWUVGCKD-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.69
Rot. Bonds6

About 3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine

3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine (PubChem CID 105162995) has the molecular formula C15H26F3N and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
PubChem CID105162995
Molecular FormulaC15H26F3N
Molecular Weight277.37 g/mol
Exact Mass277.20
IUPAC Name3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
SMILESC=C(C)CC(NCCC)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H26F3N/c1-4-8-19-14(9-11(2)3)12-6-5-7-13(10-12)15(16,17)18/h12-14,19H,2,4-10H2,1,3H3
InChIKeyANXUQWTWUVGCKD-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.69
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 3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine?
The IUPAC name of 3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine (CID 105162995) is 3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine.
What is the SMILES notation for 3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine?
The canonical SMILES for 3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine is C=C(C)CC(NCCC)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine?
The InChIKey is ANXUQWTWUVGCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N/c1-4-8-19-14(9-11(2)3)12-6-5-7-13(10-12)15(16,17)18/h12-14,19H,2,4-10H2,1,3H3.
What are the key properties of 3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine?
3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine has a molecular weight of 277.37 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine is sourced from PubChem (CID 105162995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).