(Z)-2-butan-2-yl-4-(fluoromethyl)-N,5-dimethylhex-3-en-1-amine

C13H26FN — CID 146321030

IUPAC(Z)-2-butan-2-yl-4-(fluoromethyl)-N,5-dimethylhex-3-en-1-amine
SMILESCCC(C)C(/C=C(\CF)C(C)C)CNC
InChIInChI=1S/C13H26FN/c1-6-11(4)13(9-15-5)7-12(8-14)10(2)3/h7,10-11,13,15H,6,8-9H2,1-5H3/b12-7+
InChIKeyFQEZJZIGJFVFNA-KPKJPENVSA-N
MW215.36 g/mol
LogP3.42
Rot. Bonds7

About (Z)-2-butan-2-yl-4-(fluoromethyl)-N,5-dimethylhex-3-en-1-amine

(Z)-2-butan-2-yl-4-(fluoromethyl)-N,5-dimethylhex-3-en-1-amine (PubChem CID 146321030) has the molecular formula C13H26FN and a molecular weight of 215.36 g/mol. Its IUPAC name is (Z)-2-butan-2-yl-4-(fluoromethyl)-N,5-dimethylhex-3-en-1-amine.

Molecular Properties

Compound Name(Z)-2-butan-2-yl-4-(fluoromethyl)-N,5-dimethylhex-3-en-1-amine
PubChem CID146321030
Molecular FormulaC13H26FN
Molecular Weight215.36 g/mol
Exact Mass215.20
IUPAC Name(Z)-2-butan-2-yl-4-(fluoromethyl)-N,5-dimethylhex-3-en-1-amine
SMILESCCC(C)C(/C=C(\CF)C(C)C)CNC
InChIInChI=1S/C13H26FN/c1-6-11(4)13(9-15-5)7-12(8-14)10(2)3/h7,10-11,13,15H,6,8-9H2,1-5H3/b12-7+
InChIKeyFQEZJZIGJFVFNA-KPKJPENVSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 53.42
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 (Z)-2-butan-2-yl-4-(fluoromethyl)-N,5-dimethylhex-3-en-1-amine?
The IUPAC name of (Z)-2-butan-2-yl-4-(fluoromethyl)-N,5-dimethylhex-3-en-1-amine (CID 146321030) is (Z)-2-butan-2-yl-4-(fluoromethyl)-N,5-dimethylhex-3-en-1-amine.
What is the SMILES notation for (Z)-2-butan-2-yl-4-(fluoromethyl)-N,5-dimethylhex-3-en-1-amine?
The canonical SMILES for (Z)-2-butan-2-yl-4-(fluoromethyl)-N,5-dimethylhex-3-en-1-amine is CCC(C)C(/C=C(\CF)C(C)C)CNC.
What is the InChIKey of (Z)-2-butan-2-yl-4-(fluoromethyl)-N,5-dimethylhex-3-en-1-amine?
The InChIKey is FQEZJZIGJFVFNA-KPKJPENVSA-N. The full InChI is InChI=1S/C13H26FN/c1-6-11(4)13(9-15-5)7-12(8-14)10(2)3/h7,10-11,13,15H,6,8-9H2,1-5H3/b12-7+.
What are the key properties of (Z)-2-butan-2-yl-4-(fluoromethyl)-N,5-dimethylhex-3-en-1-amine?
(Z)-2-butan-2-yl-4-(fluoromethyl)-N,5-dimethylhex-3-en-1-amine has a molecular weight of 215.36 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-butan-2-yl-4-(fluoromethyl)-N,5-dimethylhex-3-en-1-amine is sourced from PubChem (CID 146321030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).