2-methyl-2-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)heptan-1-amine

C14H28F3N — CID 126694485

IUPAC2-methyl-2-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)heptan-1-amine
SMILESCCCCCC(C)(CNC(C)C(F)(F)F)C(C)C
InChIInChI=1S/C14H28F3N/c1-6-7-8-9-13(5,11(2)3)10-18-12(4)14(15,16)17/h11-12,18H,6-10H2,1-5H3
InChIKeyYSSRIGILWIFRDR-UHFFFAOYSA-N
MW267.38 g/mol
LogP4.77
Rot. Bonds8

About 2-methyl-2-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)heptan-1-amine

2-methyl-2-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)heptan-1-amine (PubChem CID 126694485) has the molecular formula C14H28F3N and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-methyl-2-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)heptan-1-amine.

Molecular Properties

Compound Name2-methyl-2-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)heptan-1-amine
PubChem CID126694485
Molecular FormulaC14H28F3N
Molecular Weight267.38 g/mol
Exact Mass267.22
IUPAC Name2-methyl-2-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)heptan-1-amine
SMILESCCCCCC(C)(CNC(C)C(F)(F)F)C(C)C
InChIInChI=1S/C14H28F3N/c1-6-7-8-9-13(5,11(2)3)10-18-12(4)14(15,16)17/h11-12,18H,6-10H2,1-5H3
InChIKeyYSSRIGILWIFRDR-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-2-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)heptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)heptan-1-amine?
The IUPAC name of 2-methyl-2-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)heptan-1-amine (CID 126694485) is 2-methyl-2-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)heptan-1-amine.
What is the SMILES notation for 2-methyl-2-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)heptan-1-amine?
The canonical SMILES for 2-methyl-2-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)heptan-1-amine is CCCCCC(C)(CNC(C)C(F)(F)F)C(C)C.
What is the InChIKey of 2-methyl-2-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)heptan-1-amine?
The InChIKey is YSSRIGILWIFRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3N/c1-6-7-8-9-13(5,11(2)3)10-18-12(4)14(15,16)17/h11-12,18H,6-10H2,1-5H3.
What are the key properties of 2-methyl-2-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)heptan-1-amine?
2-methyl-2-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)heptan-1-amine has a molecular weight of 267.38 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)heptan-1-amine is sourced from PubChem (CID 126694485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).