2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylcycloheptan-1-amine

C15H27F3N2 — CID 62609086

IUPAC2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCCC1CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C15H27F3N2/c1-2-19-14-7-5-3-4-6-12(14)10-20(13-8-9-13)11-15(16,17)18/h12-14,19H,2-11H2,1H3
InChIKeyDRJDZGJEHBUIDT-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.57
Rot. Bonds6

About 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylcycloheptan-1-amine

2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylcycloheptan-1-amine (PubChem CID 62609086) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylcycloheptan-1-amine.

Molecular Properties

Compound Name2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylcycloheptan-1-amine
PubChem CID62609086
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC Name2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCCC1CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C15H27F3N2/c1-2-19-14-7-5-3-4-6-12(14)10-20(13-8-9-13)11-15(16,17)18/h12-14,19H,2-11H2,1H3
InChIKeyDRJDZGJEHBUIDT-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-amine
CID 62615233
N-ethyl-N-[[2-(ethylamino)cyclopentyl]methyl]cyclohexanamine
CID 62614982
2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N,4-diethylcyclohexan-1-amine
CID 62611350
2-[[cyclopropyl(propyl)amino]methyl]-N-ethylcyclopentan-1-amine
CID 62615562
N-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-amine
CID 62610305
2-[cyclobutyl-[[2-(ethylamino)cyclohexyl]methyl]amino]ethanol
CID 102871036
2-[[cyclopropyl(methyl)amino]methyl]-N-ethylcyclohexan-1-amine
CID 62616008
N-ethyl-N-[[2-(propylamino)cyclopentyl]methyl]cyclohexanamine
CID 62615159
2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol
CID 62608869
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962222
2-[[cyclopentyl(ethyl)amino]methyl]-N-methylcycloheptan-1-amine
CID 62615779
2-[[cyclopentylmethyl(methyl)amino]methyl]-N-ethylcyclopentan-1-amine
CID 63631296

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylcycloheptan-1-amine?
The IUPAC name of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylcycloheptan-1-amine (CID 62609086) is 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylcycloheptan-1-amine.
What is the SMILES notation for 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylcycloheptan-1-amine?
The canonical SMILES for 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylcycloheptan-1-amine is CCNC1CCCCCC1CN(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylcycloheptan-1-amine?
The InChIKey is DRJDZGJEHBUIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c1-2-19-14-7-5-3-4-6-12(14)10-20(13-8-9-13)11-15(16,17)18/h12-14,19H,2-11H2,1H3.
What are the key properties of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylcycloheptan-1-amine?
2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylcycloheptan-1-amine has a molecular weight of 292.39 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylcycloheptan-1-amine is sourced from PubChem (CID 62609086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).