Bis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine

Name: Bis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₂₅F₆N₂O₄S₂- — CID 159813378

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACbis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine

SMILESCCCCC(CC)CCCCN.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F

InChIInChI=1S/C11H25N.C2F6NO4S2/c1-3-5-8-11(4-2)9-6-7-10-12;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h11H,3-10,12H2,1-2H3;/q;-1

InChIKeyNLHSVRFSVZYFRU-UHFFFAOYSA-N

MW451.48 g/mol

LogP4.39

Rot. Bonds10

About Bis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine

Bis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine (PubChem CID 159813378) has the molecular formula C₁₃H₂₅F₆N₂O₄S₂- and a molecular weight of 451.48 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine.

Molecular Properties

Compound Name	Bis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine
PubChem CID	159813378
Molecular Formula	C₁₃H₂₅F₆N₂O₄S₂-
Molecular Weight	451.48 g/mol
Exact Mass	451.12
IUPAC Name	bis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine
SMILES	CCCCC(CC)CCCCN.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChI	InChI=1S/C11H25N.C2F6NO4S2/c1-3-5-8-11(4-2)9-6-7-10-12;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h11H,3-10,12H2,1-2H3;/q;-1
InChIKey	NLHSVRFSVZYFRU-UHFFFAOYSA-N
XLogP	4.39
TPSA	108.40 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	10
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.48
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Bis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine?

The IUPAC name of Bis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine (CID 159813378) is bis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine.

What is the SMILES notation for Bis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine?

The canonical SMILES for Bis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine is CCCCC(CC)CCCCN.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.

What is the InChIKey of Bis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine?

The InChIKey is NLHSVRFSVZYFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N.C2F6NO4S2/c1-3-5-8-11(4-2)9-6-7-10-12;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h11H,3-10,12H2,1-2H3;/q;-1.

What are the key properties of Bis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine?

Bis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine has a molecular weight of 451.48 g/mol, XLogP of 4.39, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Bis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine is sourced from PubChem (CID 159813378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 159813378 — identifiers, structure, computed properties (public domain)

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