5-butylnonan-5-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

C15H30F6N2O4S2 — CID 139465938

IUPAC5-butylnonan-5-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCCCC(N)(CCCC)CCCC.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H29N.C2HF6NO4S2/c1-4-7-10-13(14,11-8-5-2)12-9-6-3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-12,14H2,1-3H3;9H
InChIKeyMJJNGGPENUAGFL-UHFFFAOYSA-N
MW480.54 g/mol
LogP4.53
Rot. Bonds11

About 5-butylnonan-5-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

5-butylnonan-5-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 139465938) has the molecular formula C15H30F6N2O4S2 and a molecular weight of 480.54 g/mol. Its IUPAC name is 5-butylnonan-5-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound Name5-butylnonan-5-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID139465938
Molecular FormulaC15H30F6N2O4S2
Molecular Weight480.54 g/mol
Exact Mass480.16
IUPAC Name5-butylnonan-5-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCCCC(N)(CCCC)CCCC.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H29N.C2HF6NO4S2/c1-4-7-10-13(14,11-8-5-2)12-9-6-3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-12,14H2,1-3H3;9H
InChIKeyMJJNGGPENUAGFL-UHFFFAOYSA-N
XLogP4.53
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

nonane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 175845377
13-dodecylpentacosan-13-amine;sulfuric acid
CID 173210525
8-heptylpentadecan-8-amine;sulfuric acid
CID 173205041
indium(3+);bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
CID 131725280
heptyl(trimethyl)azanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87089549
5-butylnonan-5-amine;phosphoric acid
CID 88962478
N-methylmethanamine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 171932401
3-ethylheptan-3-amine
CID 12708037
ethyl(trimethyl)azanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 175259089
copper;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
CID 161328389
2-fluorohexane-2-sulfonic acid
CID 147161475
5-butylhexadecan-5-amine
CID 22244897

Frequently Asked Questions

What is the IUPAC name of 5-butylnonan-5-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of 5-butylnonan-5-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 139465938) is 5-butylnonan-5-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for 5-butylnonan-5-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for 5-butylnonan-5-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is CCCCC(N)(CCCC)CCCC.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5-butylnonan-5-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is MJJNGGPENUAGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N.C2HF6NO4S2/c1-4-7-10-13(14,11-8-5-2)12-9-6-3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-12,14H2,1-3H3;9H.
What are the key properties of 5-butylnonan-5-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
5-butylnonan-5-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 480.54 g/mol, XLogP of 4.53, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylnonan-5-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 139465938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).