N,N-dimethylpentan-3-amine;2,2,2-trifluoroacetic acid

C9H18F3NO2 — CID 171925784

IUPACN,N-dimethylpentan-3-amine;2,2,2-trifluoroacetic acid
SMILESCCC(CC)N(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C7H17N.C2HF3O2/c1-5-7(6-2)8(3)4;3-2(4,5)1(6)7/h7H,5-6H2,1-4H3;(H,6,7)
InChIKeyDOWOTBVNVNOWLI-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.37
Rot. Bonds3

About N,N-dimethylpentan-3-amine;2,2,2-trifluoroacetic acid

N,N-dimethylpentan-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 171925784) has the molecular formula C9H18F3NO2 and a molecular weight of 229.24 g/mol. Its IUPAC name is N,N-dimethylpentan-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethylpentan-3-amine;2,2,2-trifluoroacetic acid
PubChem CID171925784
Molecular FormulaC9H18F3NO2
Molecular Weight229.24 g/mol
Exact Mass229.13
IUPAC NameN,N-dimethylpentan-3-amine;2,2,2-trifluoroacetic acid
SMILESCCC(CC)N(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C7H17N.C2HF3O2/c1-5-7(6-2)8(3)4;3-2(4,5)1(6)7/h7H,5-6H2,1-4H3;(H,6,7)
InChIKeyDOWOTBVNVNOWLI-UHFFFAOYSA-N
XLogP2.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpentan-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethylpentan-3-amine;2,2,2-trifluoroacetic acid (CID 171925784) is N,N-dimethylpentan-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethylpentan-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethylpentan-3-amine;2,2,2-trifluoroacetic acid is CCC(CC)N(C)C.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethylpentan-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is DOWOTBVNVNOWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N.C2HF3O2/c1-5-7(6-2)8(3)4;3-2(4,5)1(6)7/h7H,5-6H2,1-4H3;(H,6,7).
What are the key properties of N,N-dimethylpentan-3-amine;2,2,2-trifluoroacetic acid?
N,N-dimethylpentan-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 229.24 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpentan-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171925784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).