2,5-dimethyl-5-(trifluoromethyl)hept-1-en-3-amine

C10H18F3N — CID 167281608

IUPAC2,5-dimethyl-5-(trifluoromethyl)hept-1-en-3-amine
SMILESC=C(C)C(N)CC(C)(CC)C(F)(F)F
InChIInChI=1S/C10H18F3N/c1-5-9(4,10(11,12)13)6-8(14)7(2)3/h8H,2,5-6,14H2,1,3-4H3
InChIKeyIMIKFDPUNBASGX-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.26
Rot. Bonds4

About 2,5-dimethyl-5-(trifluoromethyl)hept-1-en-3-amine

2,5-dimethyl-5-(trifluoromethyl)hept-1-en-3-amine (PubChem CID 167281608) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is 2,5-dimethyl-5-(trifluoromethyl)hept-1-en-3-amine.

Molecular Properties

Compound Name2,5-dimethyl-5-(trifluoromethyl)hept-1-en-3-amine
PubChem CID167281608
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Name2,5-dimethyl-5-(trifluoromethyl)hept-1-en-3-amine
SMILESC=C(C)C(N)CC(C)(CC)C(F)(F)F
InChIInChI=1S/C10H18F3N/c1-5-9(4,10(11,12)13)6-8(14)7(2)3/h8H,2,5-6,14H2,1,3-4H3
InChIKeyIMIKFDPUNBASGX-UHFFFAOYSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,5-dimethyl-5-(trifluoromethyl)hept-1-en-3-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 2,5-dimethyl-5-(trifluoromethyl)hept-1-en-3-amine?
The IUPAC name of 2,5-dimethyl-5-(trifluoromethyl)hept-1-en-3-amine (CID 167281608) is 2,5-dimethyl-5-(trifluoromethyl)hept-1-en-3-amine.
What is the SMILES notation for 2,5-dimethyl-5-(trifluoromethyl)hept-1-en-3-amine?
The canonical SMILES for 2,5-dimethyl-5-(trifluoromethyl)hept-1-en-3-amine is C=C(C)C(N)CC(C)(CC)C(F)(F)F.
What is the InChIKey of 2,5-dimethyl-5-(trifluoromethyl)hept-1-en-3-amine?
The InChIKey is IMIKFDPUNBASGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N/c1-5-9(4,10(11,12)13)6-8(14)7(2)3/h8H,2,5-6,14H2,1,3-4H3.
What are the key properties of 2,5-dimethyl-5-(trifluoromethyl)hept-1-en-3-amine?
2,5-dimethyl-5-(trifluoromethyl)hept-1-en-3-amine has a molecular weight of 209.25 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-5-(trifluoromethyl)hept-1-en-3-amine is sourced from PubChem (CID 167281608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).