2-methyl-N-(2-methylpropyl)-N-(trifluoromethyl)propan-1-amine

C9H18F3N — CID 15105667

IUPAC2-methyl-N-(2-methylpropyl)-N-(trifluoromethyl)propan-1-amine
SMILESCC(C)CN(CC(C)C)C(F)(F)F
InChIInChI=1S/C9H18F3N/c1-7(2)5-13(6-8(3)4)9(10,11)12/h7-8H,5-6H2,1-4H3
InChIKeyNUGPBDLARUKOFB-UHFFFAOYSA-N
MW197.24 g/mol
LogP3.12
Rot. Bonds4

About 2-methyl-N-(2-methylpropyl)-N-(trifluoromethyl)propan-1-amine

2-methyl-N-(2-methylpropyl)-N-(trifluoromethyl)propan-1-amine (PubChem CID 15105667) has the molecular formula C9H18F3N and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-N-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-N-(trifluoromethyl)propan-1-amine
PubChem CID15105667
Molecular FormulaC9H18F3N
Molecular Weight197.24 g/mol
Exact Mass197.14
IUPAC Name2-methyl-N-(2-methylpropyl)-N-(trifluoromethyl)propan-1-amine
SMILESCC(C)CN(CC(C)C)C(F)(F)F
InChIInChI=1S/C9H18F3N/c1-7(2)5-13(6-8(3)4)9(10,11)12/h7-8H,5-6H2,1-4H3
InChIKeyNUGPBDLARUKOFB-UHFFFAOYSA-N
XLogP3.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-N-(trifluoromethyl)propan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-N-(trifluoromethyl)propan-1-amine (CID 15105667) is 2-methyl-N-(2-methylpropyl)-N-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-N-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-N-(trifluoromethyl)propan-1-amine is CC(C)CN(CC(C)C)C(F)(F)F.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-N-(trifluoromethyl)propan-1-amine?
The InChIKey is NUGPBDLARUKOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N/c1-7(2)5-13(6-8(3)4)9(10,11)12/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-N-(trifluoromethyl)propan-1-amine?
2-methyl-N-(2-methylpropyl)-N-(trifluoromethyl)propan-1-amine has a molecular weight of 197.24 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-N-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 15105667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).