2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine

C12H23F3N2 — CID 55006799

IUPAC2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine
SMILESCCN(CC(F)(F)F)C1CCCCCC1CN
InChIInChI=1S/C12H23F3N2/c1-2-17(9-12(13,14)15)11-7-5-3-4-6-10(11)8-16/h10-11H,2-9,16H2,1H3
InChIKeyFDBDTXBFJGYVLV-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.78
Rot. Bonds4

About 2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine

2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine (PubChem CID 55006799) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine
PubChem CID55006799
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC Name2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine
SMILESCCN(CC(F)(F)F)C1CCCCCC1CN
InChIInChI=1S/C12H23F3N2/c1-2-17(9-12(13,14)15)11-7-5-3-4-6-10(11)8-16/h10-11H,2-9,16H2,1H3
InChIKeyFDBDTXBFJGYVLV-UHFFFAOYSA-N
XLogP2.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)cycloheptan-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-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine (CID 55006799) is 2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine is CCN(CC(F)(F)F)C1CCCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine?
The InChIKey is FDBDTXBFJGYVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-2-17(9-12(13,14)15)11-7-5-3-4-6-10(11)8-16/h10-11H,2-9,16H2,1H3.
What are the key properties of 2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine?
2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine has a molecular weight of 252.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine is sourced from PubChem (CID 55006799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).