(2Z,4Z)-N-ethyl-3-fluoro-N-methylhepta-2,4,6-trien-2-amine

C10H16FN — CID 146595709

IUPAC(2Z,4Z)-N-ethyl-3-fluoro-N-methylhepta-2,4,6-trien-2-amine
SMILESC=C/C=C\C(F)=C(/C)N(C)CC
InChIInChI=1S/C10H16FN/c1-5-7-8-10(11)9(3)12(4)6-2/h5,7-8H,1,6H2,2-4H3/b8-7-,10-9-
InChIKeyXPSWQDASFCNKRF-QRLRYFCNSA-N
MW169.24 g/mol
LogP2.88
Rot. Bonds4

About (2Z,4Z)-N-ethyl-3-fluoro-N-methylhepta-2,4,6-trien-2-amine

(2Z,4Z)-N-ethyl-3-fluoro-N-methylhepta-2,4,6-trien-2-amine (PubChem CID 146595709) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (2Z,4Z)-N-ethyl-3-fluoro-N-methylhepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2Z,4Z)-N-ethyl-3-fluoro-N-methylhepta-2,4,6-trien-2-amine
PubChem CID146595709
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(2Z,4Z)-N-ethyl-3-fluoro-N-methylhepta-2,4,6-trien-2-amine
SMILESC=C/C=C\C(F)=C(/C)N(C)CC
InChIInChI=1S/C10H16FN/c1-5-7-8-10(11)9(3)12(4)6-2/h5,7-8H,1,6H2,2-4H3/b8-7-,10-9-
InChIKeyXPSWQDASFCNKRF-QRLRYFCNSA-N
XLogP2.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-N-ethyl-3-fluoro-N-methylhepta-2,4,6-trien-2-amine?
The IUPAC name of (2Z,4Z)-N-ethyl-3-fluoro-N-methylhepta-2,4,6-trien-2-amine (CID 146595709) is (2Z,4Z)-N-ethyl-3-fluoro-N-methylhepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2Z,4Z)-N-ethyl-3-fluoro-N-methylhepta-2,4,6-trien-2-amine?
The canonical SMILES for (2Z,4Z)-N-ethyl-3-fluoro-N-methylhepta-2,4,6-trien-2-amine is C=C/C=C\C(F)=C(/C)N(C)CC.
What is the InChIKey of (2Z,4Z)-N-ethyl-3-fluoro-N-methylhepta-2,4,6-trien-2-amine?
The InChIKey is XPSWQDASFCNKRF-QRLRYFCNSA-N. The full InChI is InChI=1S/C10H16FN/c1-5-7-8-10(11)9(3)12(4)6-2/h5,7-8H,1,6H2,2-4H3/b8-7-,10-9-.
What are the key properties of (2Z,4Z)-N-ethyl-3-fluoro-N-methylhepta-2,4,6-trien-2-amine?
(2Z,4Z)-N-ethyl-3-fluoro-N-methylhepta-2,4,6-trien-2-amine has a molecular weight of 169.24 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-N-ethyl-3-fluoro-N-methylhepta-2,4,6-trien-2-amine is sourced from PubChem (CID 146595709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).