N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethyl-2-methylaniline

C17H28N2 — CID 79866942

IUPACN-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethyl-2-methylaniline
SMILESCCN(CC1CCC(C)(C)C1N)c1ccccc1C
InChIInChI=1S/C17H28N2/c1-5-19(15-9-7-6-8-13(15)2)12-14-10-11-17(3,4)16(14)18/h6-9,14,16H,5,10-12,18H2,1-4H3
InChIKeyPFWDDPBZEXIKBZ-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.58
Rot. Bonds4

About N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethyl-2-methylaniline

N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethyl-2-methylaniline (PubChem CID 79866942) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethyl-2-methylaniline.

Molecular Properties

Compound NameN-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethyl-2-methylaniline
PubChem CID79866942
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC NameN-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethyl-2-methylaniline
SMILESCCN(CC1CCC(C)(C)C1N)c1ccccc1C
InChIInChI=1S/C17H28N2/c1-5-19(15-9-7-6-8-13(15)2)12-14-10-11-17(3,4)16(14)18/h6-9,14,16H,5,10-12,18H2,1-4H3
InChIKeyPFWDDPBZEXIKBZ-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methyl-N-[[5-methyl-2-(methylamino)cyclohexyl]methyl]aniline
CID 63483418
2-[(N-ethyl-2-methylanilino)methyl]-N-methylcycloheptan-1-amine
CID 63483965
4-[(N-ethyl-2-methylanilino)methyl]-2,2,5,5-tetramethyloxolan-3-ol
CID 79915138
2-[(N-ethyl-2-methylanilino)methyl]-4-propylcyclohexan-1-ol
CID 63495843
N-ethyl-2-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 63484140
2,2-dimethyl-5-[[methyl(2-phenylethyl)amino]methyl]cyclopentan-1-amine
CID 79855111
N-ethyl-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 28598067
2-[(N-ethyl-2-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one
CID 64735996
4-[(N-ethyl-2-methylanilino)methyl]-4-methyloxolan-3-amine
CID 66263494
N-ethyl-2-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 62425314
N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-ethylaniline
CID 79865267
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethylcyclohexanamine
CID 79865875

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethyl-2-methylaniline?
The IUPAC name of N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethyl-2-methylaniline (CID 79866942) is N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethyl-2-methylaniline.
What is the SMILES notation for N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethyl-2-methylaniline?
The canonical SMILES for N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethyl-2-methylaniline is CCN(CC1CCC(C)(C)C1N)c1ccccc1C.
What is the InChIKey of N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethyl-2-methylaniline?
The InChIKey is PFWDDPBZEXIKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-19(15-9-7-6-8-13(15)2)12-14-10-11-17(3,4)16(14)18/h6-9,14,16H,5,10-12,18H2,1-4H3.
What are the key properties of N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethyl-2-methylaniline?
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethyl-2-methylaniline has a molecular weight of 260.42 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethyl-2-methylaniline is sourced from PubChem (CID 79866942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).