N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-ethylaniline

C17H28N2 — CID 79865267

IUPACN-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-ethylaniline
SMILESCCN(CC1CCC(C)(C)C1NC)c1ccccc1
InChIInChI=1S/C17H28N2/c1-5-19(15-9-7-6-8-10-15)13-14-11-12-17(2,3)16(14)18-4/h6-10,14,16,18H,5,11-13H2,1-4H3
InChIKeyKUSFJUOGXIXWAD-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.54
Rot. Bonds5

About N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-ethylaniline

N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-ethylaniline (PubChem CID 79865267) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-ethylaniline.

Molecular Properties

Compound NameN-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-ethylaniline
PubChem CID79865267
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-ethylaniline
SMILESCCN(CC1CCC(C)(C)C1NC)c1ccccc1
InChIInChI=1S/C17H28N2/c1-5-19(15-9-7-6-8-10-15)13-14-11-12-17(2,3)16(14)18-4/h6-10,14,16,18H,5,11-13H2,1-4H3
InChIKeyKUSFJUOGXIXWAD-UHFFFAOYSA-N
XLogP3.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-ethyl-3-methylaniline
CID 79867078
N-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-ethyl-3-fluoroaniline
CID 79842644
N,2,2-trimethyl-5-[[methyl(2-phenylethyl)amino]methyl]cyclopentan-1-amine
CID 79855039
4-[(N-ethylanilino)methyl]-N-methyloxolan-3-amine
CID 66246160
N,2,2-trimethyl-5-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclopentan-1-amine
CID 79855579
5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine
CID 79866448
N,2,2-trimethyl-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 79866723
5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-N,2,2-trimethylcyclopentan-1-amine
CID 79855711
2-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]propan-1-ol
CID 104554577
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethyl-2-methylaniline
CID 79866942
N,2,2-trimethyl-6-[[methyl-(2-methylcyclohexyl)amino]methyl]cyclohexan-1-amine
CID 79849107
N,N-diethylaniline
CID 7061

Frequently Asked Questions

What is the IUPAC name of N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-ethylaniline?
The IUPAC name of N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-ethylaniline (CID 79865267) is N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-ethylaniline.
What is the SMILES notation for N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-ethylaniline?
The canonical SMILES for N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-ethylaniline is CCN(CC1CCC(C)(C)C1NC)c1ccccc1.
What is the InChIKey of N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-ethylaniline?
The InChIKey is KUSFJUOGXIXWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-19(15-9-7-6-8-10-15)13-14-11-12-17(2,3)16(14)18-4/h6-10,14,16,18H,5,11-13H2,1-4H3.
What are the key properties of N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-ethylaniline?
N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-ethylaniline has a molecular weight of 260.43 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-ethylaniline is sourced from PubChem (CID 79865267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).