(3Z,5E)-2-ethyl-5-fluoro-N-methylhepta-3,5-dien-1-amine

C10H18FN — CID 143448537

IUPAC(3Z,5E)-2-ethyl-5-fluoro-N-methylhepta-3,5-dien-1-amine
SMILESC/C=C(F)\C=C/C(CC)CNC
InChIInChI=1S/C10H18FN/c1-4-9(8-12-3)6-7-10(11)5-2/h5-7,9,12H,4,8H2,1-3H3/b7-6-,10-5+
InChIKeyCVQXNAOLMWYRHX-JQEGGOPCSA-N
MW171.26 g/mol
LogP2.66
Rot. Bonds5

About (3Z,5E)-2-ethyl-5-fluoro-N-methylhepta-3,5-dien-1-amine

(3Z,5E)-2-ethyl-5-fluoro-N-methylhepta-3,5-dien-1-amine (PubChem CID 143448537) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (3Z,5E)-2-ethyl-5-fluoro-N-methylhepta-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z,5E)-2-ethyl-5-fluoro-N-methylhepta-3,5-dien-1-amine
PubChem CID143448537
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(3Z,5E)-2-ethyl-5-fluoro-N-methylhepta-3,5-dien-1-amine
SMILESC/C=C(F)\C=C/C(CC)CNC
InChIInChI=1S/C10H18FN/c1-4-9(8-12-3)6-7-10(11)5-2/h5-7,9,12H,4,8H2,1-3H3/b7-6-,10-5+
InChIKeyCVQXNAOLMWYRHX-JQEGGOPCSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
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 (3Z,5E)-2-ethyl-5-fluoro-N-methylhepta-3,5-dien-1-amine?
The IUPAC name of (3Z,5E)-2-ethyl-5-fluoro-N-methylhepta-3,5-dien-1-amine (CID 143448537) is (3Z,5E)-2-ethyl-5-fluoro-N-methylhepta-3,5-dien-1-amine.
What is the SMILES notation for (3Z,5E)-2-ethyl-5-fluoro-N-methylhepta-3,5-dien-1-amine?
The canonical SMILES for (3Z,5E)-2-ethyl-5-fluoro-N-methylhepta-3,5-dien-1-amine is C/C=C(F)\C=C/C(CC)CNC.
What is the InChIKey of (3Z,5E)-2-ethyl-5-fluoro-N-methylhepta-3,5-dien-1-amine?
The InChIKey is CVQXNAOLMWYRHX-JQEGGOPCSA-N. The full InChI is InChI=1S/C10H18FN/c1-4-9(8-12-3)6-7-10(11)5-2/h5-7,9,12H,4,8H2,1-3H3/b7-6-,10-5+.
What are the key properties of (3Z,5E)-2-ethyl-5-fluoro-N-methylhepta-3,5-dien-1-amine?
(3Z,5E)-2-ethyl-5-fluoro-N-methylhepta-3,5-dien-1-amine has a molecular weight of 171.26 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-2-ethyl-5-fluoro-N-methylhepta-3,5-dien-1-amine is sourced from PubChem (CID 143448537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).