(4Z)-N-ethyl-5-fluoro-2-methylhepta-4,6-dien-3-amine

C10H18FN — CID 143143069

IUPAC(4Z)-N-ethyl-5-fluoro-2-methylhepta-4,6-dien-3-amine
SMILESC=C/C(F)=C/C(NCC)C(C)C
InChIInChI=1S/C10H18FN/c1-5-9(11)7-10(8(3)4)12-6-2/h5,7-8,10,12H,1,6H2,2-4H3/b9-7-
InChIKeyUOHBWPKHQQYTDW-CLFYSBASSA-N
MW171.26 g/mol
LogP2.66
Rot. Bonds5

About (4Z)-N-ethyl-5-fluoro-2-methylhepta-4,6-dien-3-amine

(4Z)-N-ethyl-5-fluoro-2-methylhepta-4,6-dien-3-amine (PubChem CID 143143069) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (4Z)-N-ethyl-5-fluoro-2-methylhepta-4,6-dien-3-amine.

Molecular Properties

Compound Name(4Z)-N-ethyl-5-fluoro-2-methylhepta-4,6-dien-3-amine
PubChem CID143143069
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(4Z)-N-ethyl-5-fluoro-2-methylhepta-4,6-dien-3-amine
SMILESC=C/C(F)=C/C(NCC)C(C)C
InChIInChI=1S/C10H18FN/c1-5-9(11)7-10(8(3)4)12-6-2/h5,7-8,10,12H,1,6H2,2-4H3/b9-7-
InChIKeyUOHBWPKHQQYTDW-CLFYSBASSA-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 (4Z)-N-ethyl-5-fluoro-2-methylhepta-4,6-dien-3-amine?
The IUPAC name of (4Z)-N-ethyl-5-fluoro-2-methylhepta-4,6-dien-3-amine (CID 143143069) is (4Z)-N-ethyl-5-fluoro-2-methylhepta-4,6-dien-3-amine.
What is the SMILES notation for (4Z)-N-ethyl-5-fluoro-2-methylhepta-4,6-dien-3-amine?
The canonical SMILES for (4Z)-N-ethyl-5-fluoro-2-methylhepta-4,6-dien-3-amine is C=C/C(F)=C/C(NCC)C(C)C.
What is the InChIKey of (4Z)-N-ethyl-5-fluoro-2-methylhepta-4,6-dien-3-amine?
The InChIKey is UOHBWPKHQQYTDW-CLFYSBASSA-N. The full InChI is InChI=1S/C10H18FN/c1-5-9(11)7-10(8(3)4)12-6-2/h5,7-8,10,12H,1,6H2,2-4H3/b9-7-.
What are the key properties of (4Z)-N-ethyl-5-fluoro-2-methylhepta-4,6-dien-3-amine?
(4Z)-N-ethyl-5-fluoro-2-methylhepta-4,6-dien-3-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 (4Z)-N-ethyl-5-fluoro-2-methylhepta-4,6-dien-3-amine is sourced from PubChem (CID 143143069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).