(2E,4Z)-N-fluoro-N,5,6-trimethylhepta-2,4,6-trien-2-amine

C10H16FN — CID 170279801

IUPAC(2E,4Z)-N-fluoro-N,5,6-trimethylhepta-2,4,6-trien-2-amine
SMILESC=C(C)/C(C)=C\C=C(/C)N(C)F
InChIInChI=1S/C10H16FN/c1-8(2)9(3)6-7-10(4)12(5)11/h6-7H,1H2,2-5H3/b9-6-,10-7+
InChIKeyYLPPLWGJVWZBEK-PCCLLEMOSA-N
MW169.24 g/mol
LogP3.23
Rot. Bonds3

About (2E,4Z)-N-fluoro-N,5,6-trimethylhepta-2,4,6-trien-2-amine

(2E,4Z)-N-fluoro-N,5,6-trimethylhepta-2,4,6-trien-2-amine (PubChem CID 170279801) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (2E,4Z)-N-fluoro-N,5,6-trimethylhepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4Z)-N-fluoro-N,5,6-trimethylhepta-2,4,6-trien-2-amine
PubChem CID170279801
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(2E,4Z)-N-fluoro-N,5,6-trimethylhepta-2,4,6-trien-2-amine
SMILESC=C(C)/C(C)=C\C=C(/C)N(C)F
InChIInChI=1S/C10H16FN/c1-8(2)9(3)6-7-10(4)12(5)11/h6-7H,1H2,2-5H3/b9-6-,10-7+
InChIKeyYLPPLWGJVWZBEK-PCCLLEMOSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-fluoro-N,5,6-trimethylhepta-2,4,6-trien-2-amine?
The IUPAC name of (2E,4Z)-N-fluoro-N,5,6-trimethylhepta-2,4,6-trien-2-amine (CID 170279801) is (2E,4Z)-N-fluoro-N,5,6-trimethylhepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4Z)-N-fluoro-N,5,6-trimethylhepta-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4Z)-N-fluoro-N,5,6-trimethylhepta-2,4,6-trien-2-amine is C=C(C)/C(C)=C\C=C(/C)N(C)F.
What is the InChIKey of (2E,4Z)-N-fluoro-N,5,6-trimethylhepta-2,4,6-trien-2-amine?
The InChIKey is YLPPLWGJVWZBEK-PCCLLEMOSA-N. The full InChI is InChI=1S/C10H16FN/c1-8(2)9(3)6-7-10(4)12(5)11/h6-7H,1H2,2-5H3/b9-6-,10-7+.
What are the key properties of (2E,4Z)-N-fluoro-N,5,6-trimethylhepta-2,4,6-trien-2-amine?
(2E,4Z)-N-fluoro-N,5,6-trimethylhepta-2,4,6-trien-2-amine has a molecular weight of 169.24 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-fluoro-N,5,6-trimethylhepta-2,4,6-trien-2-amine is sourced from PubChem (CID 170279801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).