6-[2-(1-fluoroethenylamino)ethoxy]-3,3,6-trimethylheptan-1-amine

C14H29FN2O — CID 166654405

IUPAC6-[2-(1-fluoroethenylamino)ethoxy]-3,3,6-trimethylheptan-1-amine
SMILESC=C(F)NCCOC(C)(C)CCC(C)(C)CCN
InChIInChI=1S/C14H29FN2O/c1-12(15)17-10-11-18-14(4,5)7-6-13(2,3)8-9-16/h17H,1,6-11,16H2,2-5H3
InChIKeySVPCFERYJOYVID-UHFFFAOYSA-N
MW260.40 g/mol
LogP2.97
Rot. Bonds10

About 6-[2-(1-fluoroethenylamino)ethoxy]-3,3,6-trimethylheptan-1-amine

6-[2-(1-fluoroethenylamino)ethoxy]-3,3,6-trimethylheptan-1-amine (PubChem CID 166654405) has the molecular formula C14H29FN2O and a molecular weight of 260.40 g/mol. Its IUPAC name is 6-[2-(1-fluoroethenylamino)ethoxy]-3,3,6-trimethylheptan-1-amine.

Molecular Properties

Compound Name6-[2-(1-fluoroethenylamino)ethoxy]-3,3,6-trimethylheptan-1-amine
PubChem CID166654405
Molecular FormulaC14H29FN2O
Molecular Weight260.40 g/mol
Exact Mass260.23
IUPAC Name6-[2-(1-fluoroethenylamino)ethoxy]-3,3,6-trimethylheptan-1-amine
SMILESC=C(F)NCCOC(C)(C)CCC(C)(C)CCN
InChIInChI=1S/C14H29FN2O/c1-12(15)17-10-11-18-14(4,5)7-6-13(2,3)8-9-16/h17H,1,6-11,16H2,2-5H3
InChIKeySVPCFERYJOYVID-UHFFFAOYSA-N
XLogP2.97
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[2-(1-fluoroethenylamino)ethoxy]-3,3,6-trimethylheptan-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 6-[2-(1-fluoroethenylamino)ethoxy]-3,3,6-trimethylheptan-1-amine?
The IUPAC name of 6-[2-(1-fluoroethenylamino)ethoxy]-3,3,6-trimethylheptan-1-amine (CID 166654405) is 6-[2-(1-fluoroethenylamino)ethoxy]-3,3,6-trimethylheptan-1-amine.
What is the SMILES notation for 6-[2-(1-fluoroethenylamino)ethoxy]-3,3,6-trimethylheptan-1-amine?
The canonical SMILES for 6-[2-(1-fluoroethenylamino)ethoxy]-3,3,6-trimethylheptan-1-amine is C=C(F)NCCOC(C)(C)CCC(C)(C)CCN.
What is the InChIKey of 6-[2-(1-fluoroethenylamino)ethoxy]-3,3,6-trimethylheptan-1-amine?
The InChIKey is SVPCFERYJOYVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FN2O/c1-12(15)17-10-11-18-14(4,5)7-6-13(2,3)8-9-16/h17H,1,6-11,16H2,2-5H3.
What are the key properties of 6-[2-(1-fluoroethenylamino)ethoxy]-3,3,6-trimethylheptan-1-amine?
6-[2-(1-fluoroethenylamino)ethoxy]-3,3,6-trimethylheptan-1-amine has a molecular weight of 260.40 g/mol, XLogP of 2.97, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-fluoroethenylamino)ethoxy]-3,3,6-trimethylheptan-1-amine is sourced from PubChem (CID 166654405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).