(E)-N-(fluoromethyl)-N,3-dimethylpent-2-en-2-amine

C8H16FN — CID 174345955

IUPAC(E)-N-(fluoromethyl)-N,3-dimethylpent-2-en-2-amine
SMILESCC/C(C)=C(\C)N(C)CF
InChIInChI=1S/C8H16FN/c1-5-7(2)8(3)10(4)6-9/h5-6H2,1-4H3/b8-7+
InChIKeyCJYPNTRJVNSURU-BQYQJAHWSA-N
MW145.22 g/mol
LogP2.55
Rot. Bonds3

About (E)-N-(fluoromethyl)-N,3-dimethylpent-2-en-2-amine

(E)-N-(fluoromethyl)-N,3-dimethylpent-2-en-2-amine (PubChem CID 174345955) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is (E)-N-(fluoromethyl)-N,3-dimethylpent-2-en-2-amine.

Molecular Properties

Compound Name(E)-N-(fluoromethyl)-N,3-dimethylpent-2-en-2-amine
PubChem CID174345955
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name(E)-N-(fluoromethyl)-N,3-dimethylpent-2-en-2-amine
SMILESCC/C(C)=C(\C)N(C)CF
InChIInChI=1S/C8H16FN/c1-5-7(2)8(3)10(4)6-9/h5-6H2,1-4H3/b8-7+
InChIKeyCJYPNTRJVNSURU-BQYQJAHWSA-N
XLogP2.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(fluoromethyl)-N,3-dimethylpent-2-en-2-amine?
The IUPAC name of (E)-N-(fluoromethyl)-N,3-dimethylpent-2-en-2-amine (CID 174345955) is (E)-N-(fluoromethyl)-N,3-dimethylpent-2-en-2-amine.
What is the SMILES notation for (E)-N-(fluoromethyl)-N,3-dimethylpent-2-en-2-amine?
The canonical SMILES for (E)-N-(fluoromethyl)-N,3-dimethylpent-2-en-2-amine is CC/C(C)=C(\C)N(C)CF.
What is the InChIKey of (E)-N-(fluoromethyl)-N,3-dimethylpent-2-en-2-amine?
The InChIKey is CJYPNTRJVNSURU-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H16FN/c1-5-7(2)8(3)10(4)6-9/h5-6H2,1-4H3/b8-7+.
What are the key properties of (E)-N-(fluoromethyl)-N,3-dimethylpent-2-en-2-amine?
(E)-N-(fluoromethyl)-N,3-dimethylpent-2-en-2-amine has a molecular weight of 145.22 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(fluoromethyl)-N,3-dimethylpent-2-en-2-amine is sourced from PubChem (CID 174345955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).