(Z)-2-ethyl-3-fluoro-N-methylhex-4-en-1-amine

C9H18FN — CID 170132026

IUPAC(Z)-2-ethyl-3-fluoro-N-methylhex-4-en-1-amine
SMILESC/C=C\C(F)C(CC)CNC
InChIInChI=1S/C9H18FN/c1-4-6-9(10)8(5-2)7-11-3/h4,6,8-9,11H,5,7H2,1-3H3/b6-4-
InChIKeyVVZRVZKHEUBFMJ-XQRVVYSFSA-N
MW159.25 g/mol
LogP2.15
Rot. Bonds5

About (Z)-2-ethyl-3-fluoro-N-methylhex-4-en-1-amine

(Z)-2-ethyl-3-fluoro-N-methylhex-4-en-1-amine (PubChem CID 170132026) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is (Z)-2-ethyl-3-fluoro-N-methylhex-4-en-1-amine.

Molecular Properties

Compound Name(Z)-2-ethyl-3-fluoro-N-methylhex-4-en-1-amine
PubChem CID170132026
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name(Z)-2-ethyl-3-fluoro-N-methylhex-4-en-1-amine
SMILESC/C=C\C(F)C(CC)CNC
InChIInChI=1S/C9H18FN/c1-4-6-9(10)8(5-2)7-11-3/h4,6,8-9,11H,5,7H2,1-3H3/b6-4-
InChIKeyVVZRVZKHEUBFMJ-XQRVVYSFSA-N
XLogP2.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethyl-3-fluoro-N-methylhex-4-en-1-amine?
The IUPAC name of (Z)-2-ethyl-3-fluoro-N-methylhex-4-en-1-amine (CID 170132026) is (Z)-2-ethyl-3-fluoro-N-methylhex-4-en-1-amine.
What is the SMILES notation for (Z)-2-ethyl-3-fluoro-N-methylhex-4-en-1-amine?
The canonical SMILES for (Z)-2-ethyl-3-fluoro-N-methylhex-4-en-1-amine is C/C=C\C(F)C(CC)CNC.
What is the InChIKey of (Z)-2-ethyl-3-fluoro-N-methylhex-4-en-1-amine?
The InChIKey is VVZRVZKHEUBFMJ-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H18FN/c1-4-6-9(10)8(5-2)7-11-3/h4,6,8-9,11H,5,7H2,1-3H3/b6-4-.
What are the key properties of (Z)-2-ethyl-3-fluoro-N-methylhex-4-en-1-amine?
(Z)-2-ethyl-3-fluoro-N-methylhex-4-en-1-amine has a molecular weight of 159.25 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethyl-3-fluoro-N-methylhex-4-en-1-amine is sourced from PubChem (CID 170132026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).