(E)-N-tert-butyl-7,7-difluoro-2,2,8-trimethylnon-5-en-1-amine

C16H31F2N — CID 88973639

IUPAC(E)-N-tert-butyl-7,7-difluoro-2,2,8-trimethylnon-5-en-1-amine
SMILESCC(C)C(F)(F)/C=C/CCC(C)(C)CNC(C)(C)C
InChIInChI=1S/C16H31F2N/c1-13(2)16(17,18)11-9-8-10-15(6,7)12-19-14(3,4)5/h9,11,13,19H,8,10,12H2,1-7H3/b11-9+
InChIKeyPCXJRQNJPLGRPB-PKNBQFBNSA-N
MW275.43 g/mol
LogP5.03
Rot. Bonds7

About (E)-N-tert-butyl-7,7-difluoro-2,2,8-trimethylnon-5-en-1-amine

(E)-N-tert-butyl-7,7-difluoro-2,2,8-trimethylnon-5-en-1-amine (PubChem CID 88973639) has the molecular formula C16H31F2N and a molecular weight of 275.43 g/mol. Its IUPAC name is (E)-N-tert-butyl-7,7-difluoro-2,2,8-trimethylnon-5-en-1-amine.

Molecular Properties

Compound Name(E)-N-tert-butyl-7,7-difluoro-2,2,8-trimethylnon-5-en-1-amine
PubChem CID88973639
Molecular FormulaC16H31F2N
Molecular Weight275.43 g/mol
Exact Mass275.24
IUPAC Name(E)-N-tert-butyl-7,7-difluoro-2,2,8-trimethylnon-5-en-1-amine
SMILESCC(C)C(F)(F)/C=C/CCC(C)(C)CNC(C)(C)C
InChIInChI=1S/C16H31F2N/c1-13(2)16(17,18)11-9-8-10-15(6,7)12-19-14(3,4)5/h9,11,13,19H,8,10,12H2,1-7H3/b11-9+
InChIKeyPCXJRQNJPLGRPB-PKNBQFBNSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.43
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N-tert-butyl-7,7-difluoro-2,2,8-trimethylnon-5-en-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 (E)-N-tert-butyl-7,7-difluoro-2,2,8-trimethylnon-5-en-1-amine?
The IUPAC name of (E)-N-tert-butyl-7,7-difluoro-2,2,8-trimethylnon-5-en-1-amine (CID 88973639) is (E)-N-tert-butyl-7,7-difluoro-2,2,8-trimethylnon-5-en-1-amine.
What is the SMILES notation for (E)-N-tert-butyl-7,7-difluoro-2,2,8-trimethylnon-5-en-1-amine?
The canonical SMILES for (E)-N-tert-butyl-7,7-difluoro-2,2,8-trimethylnon-5-en-1-amine is CC(C)C(F)(F)/C=C/CCC(C)(C)CNC(C)(C)C.
What is the InChIKey of (E)-N-tert-butyl-7,7-difluoro-2,2,8-trimethylnon-5-en-1-amine?
The InChIKey is PCXJRQNJPLGRPB-PKNBQFBNSA-N. The full InChI is InChI=1S/C16H31F2N/c1-13(2)16(17,18)11-9-8-10-15(6,7)12-19-14(3,4)5/h9,11,13,19H,8,10,12H2,1-7H3/b11-9+.
What are the key properties of (E)-N-tert-butyl-7,7-difluoro-2,2,8-trimethylnon-5-en-1-amine?
(E)-N-tert-butyl-7,7-difluoro-2,2,8-trimethylnon-5-en-1-amine has a molecular weight of 275.43 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-7,7-difluoro-2,2,8-trimethylnon-5-en-1-amine is sourced from PubChem (CID 88973639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).