N-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-amine

C13H25F3N2 — CID 62615233

IUPACN-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-amine
SMILESCCNC1CCCCCC1CN(C)CC(F)(F)F
InChIInChI=1S/C13H25F3N2/c1-3-17-12-8-6-4-5-7-11(12)9-18(2)10-13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyQXCCHNRKTMHTJC-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.04
Rot. Bonds5

About N-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-amine

N-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-amine (PubChem CID 62615233) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-amine
PubChem CID62615233
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC NameN-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-amine
SMILESCCNC1CCCCCC1CN(C)CC(F)(F)F
InChIInChI=1S/C13H25F3N2/c1-3-17-12-8-6-4-5-7-11(12)9-18(2)10-13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyQXCCHNRKTMHTJC-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]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

Related Compounds

2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylcycloheptan-1-amine
CID 62609086
N-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-amine
CID 62610305
2-[[cyclopentylmethyl(methyl)amino]methyl]-N-ethylcyclopentan-1-amine
CID 63631296
N-ethyl-2-[[methyl(3-methylbutyl)amino]methyl]cycloheptan-1-amine
CID 62610199
N-ethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cycloheptan-1-amine
CID 62615411
2-[[cyclopropyl(methyl)amino]methyl]-N-ethylcyclohexan-1-amine
CID 62616008
N'-[[2-(ethylamino)cycloheptyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62611047
N-ethyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cycloheptan-1-amine
CID 63274438
N-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine
CID 62608952
N-ethyl-N-[[2-(ethylamino)cyclopentyl]methyl]cyclohexanamine
CID 62614982
N-ethyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 55170284
2-[2-[[2-(ethylamino)cyclohexyl]methyl-methylamino]ethoxy]ethanol
CID 114243650

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-amine?
The IUPAC name of N-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-amine (CID 62615233) is N-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-amine.
What is the SMILES notation for N-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-amine?
The canonical SMILES for N-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-amine is CCNC1CCCCCC1CN(C)CC(F)(F)F.
What is the InChIKey of N-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-amine?
The InChIKey is QXCCHNRKTMHTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-3-17-12-8-6-4-5-7-11(12)9-18(2)10-13(14,15)16/h11-12,17H,3-10H2,1-2H3.
What are the key properties of N-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-amine?
N-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-amine has a molecular weight of 266.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-amine is sourced from PubChem (CID 62615233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).