N-(3-ethylheptyl)-1,1,2,2,3,3-hexafluorononan-1-amine

C18H33F6N — CID 22637418

IUPACN-(3-ethylheptyl)-1,1,2,2,3,3-hexafluorononan-1-amine
SMILESCCCCCCC(F)(F)C(F)(F)C(F)(F)NCCC(CC)CCCC
InChIInChI=1S/C18H33F6N/c1-4-7-9-10-13-16(19,20)17(21,22)18(23,24)25-14-12-15(6-3)11-8-5-2/h15,25H,4-14H2,1-3H3
InChIKeyJNIOEOBSFVLVLI-UHFFFAOYSA-N
MW377.46 g/mol
LogP7.02
Rot. Bonds15

About N-(3-ethylheptyl)-1,1,2,2,3,3-hexafluorononan-1-amine

N-(3-ethylheptyl)-1,1,2,2,3,3-hexafluorononan-1-amine (PubChem CID 22637418) has the molecular formula C18H33F6N and a molecular weight of 377.46 g/mol. Its IUPAC name is N-(3-ethylheptyl)-1,1,2,2,3,3-hexafluorononan-1-amine.

Molecular Properties

Compound NameN-(3-ethylheptyl)-1,1,2,2,3,3-hexafluorononan-1-amine
PubChem CID22637418
Molecular FormulaC18H33F6N
Molecular Weight377.46 g/mol
Exact Mass377.25
IUPAC NameN-(3-ethylheptyl)-1,1,2,2,3,3-hexafluorononan-1-amine
SMILESCCCCCCC(F)(F)C(F)(F)C(F)(F)NCCC(CC)CCCC
InChIInChI=1S/C18H33F6N/c1-4-7-9-10-13-16(19,20)17(21,22)18(23,24)25-14-12-15(6-3)11-8-5-2/h15,25H,4-14H2,1-3H3
InChIKeyJNIOEOBSFVLVLI-UHFFFAOYSA-N
XLogP7.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.46
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(3-ethylheptyl)-1,1,2,2,3,3-hexafluorononan-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

Related Compounds

Bis(2-ethylhexyl)amine
CID 7791
N-trifluoroethyloctadecylamine
CID 13041690
N-(2,2,2-trifluoroethyl)hexadecan-1-amine
CID 20155645
2-(4,4-difluorocyclohexyl)-N-methylethan-1-amine
CID 84022133
N-(2,2,2-trifluoroethyl)tetradecan-1-amine
CID 90672457
N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroethanamine
CID 81385216
[(1S)-1-cyclohexylethyl]-(2,2,2-trifluoroethyl)azanium
CID 164667452
N-(3,7-dimethyloctyl)-3,7-dimethyloctan-1-amine
CID 13945556
N-(1,1,2,2,3,3-hexafluorononyl)-7-methyldecan-5-amine
CID 17948309
4,4,5,5,6,6,7,7,8-nonafluoro-N-(4,4,5,5,6,6,7,7,8-nonafluorononyl)nonan-1-amine
CID 18792137
N-(2-ethylhexyl)dodecan-1-amine
CID 19901278
N-(2-ethylhexyl)octadecan-1-amine
CID 20320270

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylheptyl)-1,1,2,2,3,3-hexafluorononan-1-amine?
The IUPAC name of N-(3-ethylheptyl)-1,1,2,2,3,3-hexafluorononan-1-amine (CID 22637418) is N-(3-ethylheptyl)-1,1,2,2,3,3-hexafluorononan-1-amine.
What is the SMILES notation for N-(3-ethylheptyl)-1,1,2,2,3,3-hexafluorononan-1-amine?
The canonical SMILES for N-(3-ethylheptyl)-1,1,2,2,3,3-hexafluorononan-1-amine is CCCCCCC(F)(F)C(F)(F)C(F)(F)NCCC(CC)CCCC.
What is the InChIKey of N-(3-ethylheptyl)-1,1,2,2,3,3-hexafluorononan-1-amine?
The InChIKey is JNIOEOBSFVLVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33F6N/c1-4-7-9-10-13-16(19,20)17(21,22)18(23,24)25-14-12-15(6-3)11-8-5-2/h15,25H,4-14H2,1-3H3.
What are the key properties of N-(3-ethylheptyl)-1,1,2,2,3,3-hexafluorononan-1-amine?
N-(3-ethylheptyl)-1,1,2,2,3,3-hexafluorononan-1-amine has a molecular weight of 377.46 g/mol, XLogP of 7.02, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylheptyl)-1,1,2,2,3,3-hexafluorononan-1-amine is sourced from PubChem (CID 22637418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).