(1E)-N-(2-fluoroethyl)-N,2,6-trimethylhepta-1,6-dien-1-amine

C12H22FN — CID 155274989

IUPAC(1E)-N-(2-fluoroethyl)-N,2,6-trimethylhepta-1,6-dien-1-amine
SMILESC=C(C)CCC/C(C)=C/N(C)CCF
InChIInChI=1S/C12H22FN/c1-11(2)6-5-7-12(3)10-14(4)9-8-13/h10H,1,5-9H2,2-4H3/b12-10+
InChIKeyMVYRFJLYOBFCND-ZRDIBKRKSA-N
MW199.31 g/mol
LogP3.54
Rot. Bonds7

About (1E)-N-(2-fluoroethyl)-N,2,6-trimethylhepta-1,6-dien-1-amine

(1E)-N-(2-fluoroethyl)-N,2,6-trimethylhepta-1,6-dien-1-amine (PubChem CID 155274989) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is (1E)-N-(2-fluoroethyl)-N,2,6-trimethylhepta-1,6-dien-1-amine.

Molecular Properties

Compound Name(1E)-N-(2-fluoroethyl)-N,2,6-trimethylhepta-1,6-dien-1-amine
PubChem CID155274989
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name(1E)-N-(2-fluoroethyl)-N,2,6-trimethylhepta-1,6-dien-1-amine
SMILESC=C(C)CCC/C(C)=C/N(C)CCF
InChIInChI=1S/C12H22FN/c1-11(2)6-5-7-12(3)10-14(4)9-8-13/h10H,1,5-9H2,2-4H3/b12-10+
InChIKeyMVYRFJLYOBFCND-ZRDIBKRKSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1E)-N-(2-fluoroethyl)-N,2,6-trimethylhepta-1,6-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1E)-N-(2-fluoroethyl)-N,2,6-trimethylhepta-1,6-dien-1-amine?
The IUPAC name of (1E)-N-(2-fluoroethyl)-N,2,6-trimethylhepta-1,6-dien-1-amine (CID 155274989) is (1E)-N-(2-fluoroethyl)-N,2,6-trimethylhepta-1,6-dien-1-amine.
What is the SMILES notation for (1E)-N-(2-fluoroethyl)-N,2,6-trimethylhepta-1,6-dien-1-amine?
The canonical SMILES for (1E)-N-(2-fluoroethyl)-N,2,6-trimethylhepta-1,6-dien-1-amine is C=C(C)CCC/C(C)=C/N(C)CCF.
What is the InChIKey of (1E)-N-(2-fluoroethyl)-N,2,6-trimethylhepta-1,6-dien-1-amine?
The InChIKey is MVYRFJLYOBFCND-ZRDIBKRKSA-N. The full InChI is InChI=1S/C12H22FN/c1-11(2)6-5-7-12(3)10-14(4)9-8-13/h10H,1,5-9H2,2-4H3/b12-10+.
What are the key properties of (1E)-N-(2-fluoroethyl)-N,2,6-trimethylhepta-1,6-dien-1-amine?
(1E)-N-(2-fluoroethyl)-N,2,6-trimethylhepta-1,6-dien-1-amine has a molecular weight of 199.31 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-(2-fluoroethyl)-N,2,6-trimethylhepta-1,6-dien-1-amine is sourced from PubChem (CID 155274989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).