N-(3-fluorobut-3-enyl)-4,4,7,8-tetramethylnon-1-en-2-amine

C17H32FN — CID 126559121

IUPACN-(3-fluorobut-3-enyl)-4,4,7,8-tetramethylnon-1-en-2-amine
SMILESC=C(F)CCNC(=C)CC(C)(C)CCC(C)C(C)C
InChIInChI=1S/C17H32FN/c1-13(2)14(3)8-10-17(6,7)12-16(5)19-11-9-15(4)18/h13-14,19H,4-5,8-12H2,1-3,6-7H3
InChIKeyLDZNEPMGUWCJIT-UHFFFAOYSA-N
MW269.45 g/mol
LogP5.45
Rot. Bonds10

About N-(3-fluorobut-3-enyl)-4,4,7,8-tetramethylnon-1-en-2-amine

N-(3-fluorobut-3-enyl)-4,4,7,8-tetramethylnon-1-en-2-amine (PubChem CID 126559121) has the molecular formula C17H32FN and a molecular weight of 269.45 g/mol. Its IUPAC name is N-(3-fluorobut-3-enyl)-4,4,7,8-tetramethylnon-1-en-2-amine.

Molecular Properties

Compound NameN-(3-fluorobut-3-enyl)-4,4,7,8-tetramethylnon-1-en-2-amine
PubChem CID126559121
Molecular FormulaC17H32FN
Molecular Weight269.45 g/mol
Exact Mass269.25
IUPAC NameN-(3-fluorobut-3-enyl)-4,4,7,8-tetramethylnon-1-en-2-amine
SMILESC=C(F)CCNC(=C)CC(C)(C)CCC(C)C(C)C
InChIInChI=1S/C17H32FN/c1-13(2)14(3)8-10-17(6,7)12-16(5)19-11-9-15(4)18/h13-14,19H,4-5,8-12H2,1-3,6-7H3
InChIKeyLDZNEPMGUWCJIT-UHFFFAOYSA-N
XLogP5.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.45
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3-fluorobut-3-enyl)-4,4,7,8-tetramethylnon-1-en-2-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 N-(3-fluorobut-3-enyl)-4,4,7,8-tetramethylnon-1-en-2-amine?
The IUPAC name of N-(3-fluorobut-3-enyl)-4,4,7,8-tetramethylnon-1-en-2-amine (CID 126559121) is N-(3-fluorobut-3-enyl)-4,4,7,8-tetramethylnon-1-en-2-amine.
What is the SMILES notation for N-(3-fluorobut-3-enyl)-4,4,7,8-tetramethylnon-1-en-2-amine?
The canonical SMILES for N-(3-fluorobut-3-enyl)-4,4,7,8-tetramethylnon-1-en-2-amine is C=C(F)CCNC(=C)CC(C)(C)CCC(C)C(C)C.
What is the InChIKey of N-(3-fluorobut-3-enyl)-4,4,7,8-tetramethylnon-1-en-2-amine?
The InChIKey is LDZNEPMGUWCJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32FN/c1-13(2)14(3)8-10-17(6,7)12-16(5)19-11-9-15(4)18/h13-14,19H,4-5,8-12H2,1-3,6-7H3.
What are the key properties of N-(3-fluorobut-3-enyl)-4,4,7,8-tetramethylnon-1-en-2-amine?
N-(3-fluorobut-3-enyl)-4,4,7,8-tetramethylnon-1-en-2-amine has a molecular weight of 269.45 g/mol, XLogP of 5.45, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorobut-3-enyl)-4,4,7,8-tetramethylnon-1-en-2-amine is sourced from PubChem (CID 126559121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).