(Z)-3-ethyl-7-fluoro-N,N-dimethylhept-5-en-1-amine

C11H22FN — CID 134365612

IUPAC(Z)-3-ethyl-7-fluoro-N,N-dimethylhept-5-en-1-amine
SMILESCCC(C/C=C\CF)CCN(C)C
InChIInChI=1S/C11H22FN/c1-4-11(7-5-6-9-12)8-10-13(2)3/h5-6,11H,4,7-10H2,1-3H3/b6-5-
InChIKeyJKMYLMYSVFBMPF-WAYWQWQTSA-N
MW187.30 g/mol
LogP2.88
Rot. Bonds7

About (Z)-3-ethyl-7-fluoro-N,N-dimethylhept-5-en-1-amine

(Z)-3-ethyl-7-fluoro-N,N-dimethylhept-5-en-1-amine (PubChem CID 134365612) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is (Z)-3-ethyl-7-fluoro-N,N-dimethylhept-5-en-1-amine.

Molecular Properties

Compound Name(Z)-3-ethyl-7-fluoro-N,N-dimethylhept-5-en-1-amine
PubChem CID134365612
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name(Z)-3-ethyl-7-fluoro-N,N-dimethylhept-5-en-1-amine
SMILESCCC(C/C=C\CF)CCN(C)C
InChIInChI=1S/C11H22FN/c1-4-11(7-5-6-9-12)8-10-13(2)3/h5-6,11H,4,7-10H2,1-3H3/b6-5-
InChIKeyJKMYLMYSVFBMPF-WAYWQWQTSA-N
XLogP2.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
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)-3-ethyl-7-fluoro-N,N-dimethylhept-5-en-1-amine?
The IUPAC name of (Z)-3-ethyl-7-fluoro-N,N-dimethylhept-5-en-1-amine (CID 134365612) is (Z)-3-ethyl-7-fluoro-N,N-dimethylhept-5-en-1-amine.
What is the SMILES notation for (Z)-3-ethyl-7-fluoro-N,N-dimethylhept-5-en-1-amine?
The canonical SMILES for (Z)-3-ethyl-7-fluoro-N,N-dimethylhept-5-en-1-amine is CCC(C/C=C\CF)CCN(C)C.
What is the InChIKey of (Z)-3-ethyl-7-fluoro-N,N-dimethylhept-5-en-1-amine?
The InChIKey is JKMYLMYSVFBMPF-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H22FN/c1-4-11(7-5-6-9-12)8-10-13(2)3/h5-6,11H,4,7-10H2,1-3H3/b6-5-.
What are the key properties of (Z)-3-ethyl-7-fluoro-N,N-dimethylhept-5-en-1-amine?
(Z)-3-ethyl-7-fluoro-N,N-dimethylhept-5-en-1-amine has a molecular weight of 187.30 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethyl-7-fluoro-N,N-dimethylhept-5-en-1-amine is sourced from PubChem (CID 134365612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).