1-(aminomethyl)-N-ethyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine

C13H25F3N2 — CID 64553127

IUPAC1-(aminomethyl)-N-ethyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine
SMILESCCN(CCC(F)(F)F)C1(CN)CCCCCC1
InChIInChI=1S/C13H25F3N2/c1-2-18(10-9-13(14,15)16)12(11-17)7-5-3-4-6-8-12/h2-11,17H2,1H3
InChIKeyOOJSOWLLDAWABM-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.31
Rot. Bonds5

About 1-(aminomethyl)-N-ethyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine

1-(aminomethyl)-N-ethyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine (PubChem CID 64553127) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine
PubChem CID64553127
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC Name1-(aminomethyl)-N-ethyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine
SMILESCCN(CCC(F)(F)F)C1(CN)CCCCCC1
InChIInChI=1S/C13H25F3N2/c1-2-18(10-9-13(14,15)16)12(11-17)7-5-3-4-6-8-12/h2-11,17H2,1H3
InChIKeyOOJSOWLLDAWABM-UHFFFAOYSA-N
XLogP3.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(aminomethyl)-N-ethyl-N-(3,3,3-trifluoropropyl)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 1-(aminomethyl)-N-ethyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine (CID 64553127) is 1-(aminomethyl)-N-ethyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine is CCN(CCC(F)(F)F)C1(CN)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine?
The InChIKey is OOJSOWLLDAWABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-2-18(10-9-13(14,15)16)12(11-17)7-5-3-4-6-8-12/h2-11,17H2,1H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine?
1-(aminomethyl)-N-ethyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine has a molecular weight of 266.35 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine is sourced from PubChem (CID 64553127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).