(E)-1-fluoro-N,N,2-trimethyl-3-methylidenepent-1-en-1-amine

C9H16FN — CID 144510995

IUPAC(E)-1-fluoro-N,N,2-trimethyl-3-methylidenepent-1-en-1-amine
SMILESC=C(CC)/C(C)=C(/F)N(C)C
InChIInChI=1S/C9H16FN/c1-6-7(2)8(3)9(10)11(4)5/h2,6H2,1,3-5H3/b9-8-
InChIKeyXHLYFZDHQMLDKQ-HJWRWDBZSA-N
MW157.23 g/mol
LogP2.72
Rot. Bonds3

About (E)-1-fluoro-N,N,2-trimethyl-3-methylidenepent-1-en-1-amine

(E)-1-fluoro-N,N,2-trimethyl-3-methylidenepent-1-en-1-amine (PubChem CID 144510995) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (E)-1-fluoro-N,N,2-trimethyl-3-methylidenepent-1-en-1-amine.

Molecular Properties

Compound Name(E)-1-fluoro-N,N,2-trimethyl-3-methylidenepent-1-en-1-amine
PubChem CID144510995
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(E)-1-fluoro-N,N,2-trimethyl-3-methylidenepent-1-en-1-amine
SMILESC=C(CC)/C(C)=C(/F)N(C)C
InChIInChI=1S/C9H16FN/c1-6-7(2)8(3)9(10)11(4)5/h2,6H2,1,3-5H3/b9-8-
InChIKeyXHLYFZDHQMLDKQ-HJWRWDBZSA-N
XLogP2.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-fluoro-N,N,2-trimethyl-3-methylidenepent-1-en-1-amine?
The IUPAC name of (E)-1-fluoro-N,N,2-trimethyl-3-methylidenepent-1-en-1-amine (CID 144510995) is (E)-1-fluoro-N,N,2-trimethyl-3-methylidenepent-1-en-1-amine.
What is the SMILES notation for (E)-1-fluoro-N,N,2-trimethyl-3-methylidenepent-1-en-1-amine?
The canonical SMILES for (E)-1-fluoro-N,N,2-trimethyl-3-methylidenepent-1-en-1-amine is C=C(CC)/C(C)=C(/F)N(C)C.
What is the InChIKey of (E)-1-fluoro-N,N,2-trimethyl-3-methylidenepent-1-en-1-amine?
The InChIKey is XHLYFZDHQMLDKQ-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H16FN/c1-6-7(2)8(3)9(10)11(4)5/h2,6H2,1,3-5H3/b9-8-.
What are the key properties of (E)-1-fluoro-N,N,2-trimethyl-3-methylidenepent-1-en-1-amine?
(E)-1-fluoro-N,N,2-trimethyl-3-methylidenepent-1-en-1-amine has a molecular weight of 157.23 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-fluoro-N,N,2-trimethyl-3-methylidenepent-1-en-1-amine is sourced from PubChem (CID 144510995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).