octadecan-1-amine;bis(trifluoromethanesulfonamide)

C20H43F6N3O4S2 — CID 118481612

IUPACoctadecan-1-amine;bis(trifluoromethanesulfonamide)
SMILESCCCCCCCCCCCCCCCCCCN.NS(=O)(=O)C(F)(F)F.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C18H39N.2CH2F3NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;2*2-1(3,4)8(5,6)7/h2-19H2,1H3;2*(H2,5,6,7)
InChIKeyGLXSGHDMXCDYAS-UHFFFAOYSA-N
MW567.70 g/mol
LogP5.80
Rot. Bonds16

About octadecan-1-amine;bis(trifluoromethanesulfonamide)

octadecan-1-amine;bis(trifluoromethanesulfonamide) (PubChem CID 118481612) has the molecular formula C20H43F6N3O4S2 and a molecular weight of 567.70 g/mol. Its IUPAC name is octadecan-1-amine;bis(trifluoromethanesulfonamide).

Molecular Properties

Compound Nameoctadecan-1-amine;bis(trifluoromethanesulfonamide)
PubChem CID118481612
Molecular FormulaC20H43F6N3O4S2
Molecular Weight567.70 g/mol
Exact Mass567.26
IUPAC Nameoctadecan-1-amine;bis(trifluoromethanesulfonamide)
SMILESCCCCCCCCCCCCCCCCCCN.NS(=O)(=O)C(F)(F)F.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C18H39N.2CH2F3NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;2*2-1(3,4)8(5,6)7/h2-19H2,1H3;2*(H2,5,6,7)
InChIKeyGLXSGHDMXCDYAS-UHFFFAOYSA-N
XLogP5.80
TPSA146.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.70
LogP ≤ 55.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(nonan-1-amine);sulfuric acid
CID 3055201
azane;dodecan-1-amine;sulfuric acid
CID 173110292
dodecan-1-amine;2,2,2-trifluoroacetic acid
CID 71401775
bis(nonan-1-amine);sulfate
CID 21153128
butane-1-sulfonamide;trifluoromethanesulfonamide
CID 87836175
dodecan-1-amine;hydroxylamine
CID 175960605
butane-1,4-diamine;hexan-1-amine
CID 162097736
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
tridecan-1-amine;undecan-1-amine
CID 23045943
dotetracontan-1-amine
CID 14550497
methyl hydrogen sulfate;octadecan-1-amine
CID 173395931

Frequently Asked Questions

What is the IUPAC name of octadecan-1-amine;bis(trifluoromethanesulfonamide)?
The IUPAC name of octadecan-1-amine;bis(trifluoromethanesulfonamide) (CID 118481612) is octadecan-1-amine;bis(trifluoromethanesulfonamide).
What is the SMILES notation for octadecan-1-amine;bis(trifluoromethanesulfonamide)?
The canonical SMILES for octadecan-1-amine;bis(trifluoromethanesulfonamide) is CCCCCCCCCCCCCCCCCCN.NS(=O)(=O)C(F)(F)F.NS(=O)(=O)C(F)(F)F.
What is the InChIKey of octadecan-1-amine;bis(trifluoromethanesulfonamide)?
The InChIKey is GLXSGHDMXCDYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N.2CH2F3NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;2*2-1(3,4)8(5,6)7/h2-19H2,1H3;2*(H2,5,6,7).
What are the key properties of octadecan-1-amine;bis(trifluoromethanesulfonamide)?
octadecan-1-amine;bis(trifluoromethanesulfonamide) has a molecular weight of 567.70 g/mol, XLogP of 5.80, 16 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for octadecan-1-amine;bis(trifluoromethanesulfonamide) is sourced from PubChem (CID 118481612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).