N-hexyl-N-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]hexan-1-amine

C17H32F5NO — CID 59383798

IUPACN-hexyl-N-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]hexan-1-amine
SMILESCCCCCCN(CCCCCC)CCOCC(F)(F)C(F)(F)F
InChIInChI=1S/C17H32F5NO/c1-3-5-7-9-11-23(12-10-8-6-4-2)13-14-24-15-16(18,19)17(20,21)22/h3-15H2,1-2H3
InChIKeyJXURVLKVPOIBMR-UHFFFAOYSA-N
MW361.44 g/mol
LogP5.66
Rot. Bonds15

About N-hexyl-N-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]hexan-1-amine

N-hexyl-N-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]hexan-1-amine (PubChem CID 59383798) has the molecular formula C17H32F5NO and a molecular weight of 361.44 g/mol. Its IUPAC name is N-hexyl-N-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]hexan-1-amine.

Molecular Properties

Compound NameN-hexyl-N-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]hexan-1-amine
PubChem CID59383798
Molecular FormulaC17H32F5NO
Molecular Weight361.44 g/mol
Exact Mass361.24
IUPAC NameN-hexyl-N-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]hexan-1-amine
SMILESCCCCCCN(CCCCCC)CCOCC(F)(F)C(F)(F)F
InChIInChI=1S/C17H32F5NO/c1-3-5-7-9-11-23(12-10-8-6-4-2)13-14-24-15-16(18,19)17(20,21)22/h3-15H2,1-2H3
InChIKeyJXURVLKVPOIBMR-UHFFFAOYSA-N
XLogP5.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-N-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]hexan-1-amine?
The IUPAC name of N-hexyl-N-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]hexan-1-amine (CID 59383798) is N-hexyl-N-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]hexan-1-amine.
What is the SMILES notation for N-hexyl-N-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]hexan-1-amine?
The canonical SMILES for N-hexyl-N-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]hexan-1-amine is CCCCCCN(CCCCCC)CCOCC(F)(F)C(F)(F)F.
What is the InChIKey of N-hexyl-N-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]hexan-1-amine?
The InChIKey is JXURVLKVPOIBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32F5NO/c1-3-5-7-9-11-23(12-10-8-6-4-2)13-14-24-15-16(18,19)17(20,21)22/h3-15H2,1-2H3.
What are the key properties of N-hexyl-N-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]hexan-1-amine?
N-hexyl-N-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]hexan-1-amine has a molecular weight of 361.44 g/mol, XLogP of 5.66, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]hexan-1-amine is sourced from PubChem (CID 59383798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).