2-methyl-3-propan-2-ylnonan-3-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

C15H30F6N2O4S2 — CID 171931212

IUPAC2-methyl-3-propan-2-ylnonan-3-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCCCCCC(N)(C(C)C)C(C)C.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H29N.C2HF6NO4S2/c1-6-7-8-9-10-13(14,11(2)3)12(4)5;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h11-12H,6-10,14H2,1-5H3;9H
InChIKeyZZHQDZHKGBBJRZ-UHFFFAOYSA-N
MW480.54 g/mol
LogP4.24
Rot. Bonds9

About 2-methyl-3-propan-2-ylnonan-3-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

2-methyl-3-propan-2-ylnonan-3-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 171931212) has the molecular formula C15H30F6N2O4S2 and a molecular weight of 480.54 g/mol. Its IUPAC name is 2-methyl-3-propan-2-ylnonan-3-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound Name2-methyl-3-propan-2-ylnonan-3-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID171931212
Molecular FormulaC15H30F6N2O4S2
Molecular Weight480.54 g/mol
Exact Mass480.16
IUPAC Name2-methyl-3-propan-2-ylnonan-3-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCCCCCC(N)(C(C)C)C(C)C.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H29N.C2HF6NO4S2/c1-6-7-8-9-10-13(14,11(2)3)12(4)5;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h11-12H,6-10,14H2,1-5H3;9H
InChIKeyZZHQDZHKGBBJRZ-UHFFFAOYSA-N
XLogP4.24
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5,6-dibutylundecan-5-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87089399
5,6-dibutyldodecan-5-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87089410
2,3-dimethylnonan-2-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87089412
5,6-dibutyldecan-5-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87089649
(2-Amino-2,3-dimethylheptan-4-ylidene)-bis(trifluoromethylsulfonyl)azanium
CID 87649329
2,3-Dimethylnonan-2-amine;trifluoromethanesulfonamide
CID 87992178
2,3-Dimethylheptan-2-amine;trifluoromethanesulfonamide
CID 87992492
2,3-Dimethylheptan-2-ylimino-bis(trifluoromethylsulfonyl)azanium
CID 90188873
N-(2,3-dimethylheptan-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 118514417
5-butylnonan-5-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 139465938
1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide;1,1,1-trifluoro-N-methylmethanesulfonamide
CID 143893293
Bis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine
CID 159813378

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propan-2-ylnonan-3-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of 2-methyl-3-propan-2-ylnonan-3-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 171931212) is 2-methyl-3-propan-2-ylnonan-3-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for 2-methyl-3-propan-2-ylnonan-3-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for 2-methyl-3-propan-2-ylnonan-3-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is CCCCCCC(N)(C(C)C)C(C)C.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-methyl-3-propan-2-ylnonan-3-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is ZZHQDZHKGBBJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N.C2HF6NO4S2/c1-6-7-8-9-10-13(14,11(2)3)12(4)5;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h11-12H,6-10,14H2,1-5H3;9H.
What are the key properties of 2-methyl-3-propan-2-ylnonan-3-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
2-methyl-3-propan-2-ylnonan-3-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 480.54 g/mol, XLogP of 4.24, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-ylnonan-3-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 171931212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).