4-ethyl-N-(2,4,4-trimethylcyclopentyl)aniline

C16H25N — CID 106661610

IUPAC4-ethyl-N-(2,4,4-trimethylcyclopentyl)aniline
SMILESCCc1ccc(NC2CC(C)(C)CC2C)cc1
InChIInChI=1S/C16H25N/c1-5-13-6-8-14(9-7-13)17-15-11-16(3,4)10-12(15)2/h6-9,12,15,17H,5,10-11H2,1-4H3
InChIKeyOMQRSFQTGFAQRI-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.49
Rot. Bonds3

About 4-ethyl-N-(2,4,4-trimethylcyclopentyl)aniline

4-ethyl-N-(2,4,4-trimethylcyclopentyl)aniline (PubChem CID 106661610) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 4-ethyl-N-(2,4,4-trimethylcyclopentyl)aniline.

Molecular Properties

Compound Name4-ethyl-N-(2,4,4-trimethylcyclopentyl)aniline
PubChem CID106661610
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name4-ethyl-N-(2,4,4-trimethylcyclopentyl)aniline
SMILESCCc1ccc(NC2CC(C)(C)CC2C)cc1
InChIInChI=1S/C16H25N/c1-5-13-6-8-14(9-7-13)17-15-11-16(3,4)10-12(15)2/h6-9,12,15,17H,5,10-11H2,1-4H3
InChIKeyOMQRSFQTGFAQRI-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-N-(2,4,4-trimethylcyclohexyl)aniline
CID 81321095
4-N,4-N-diethyl-1-N-(2,4,4-trimethylcyclopentyl)benzene-1,4-diamine
CID 106661857
N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661502
[4-[(2,4,4-trimethylcyclopentyl)amino]phenyl]urea
CID 106662193
4-cyclopentyloxy-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661973
3-(diethylaminomethyl)-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662084
3-iodo-4-methyl-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662008
3,4,5-trifluoro-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662480
5-[(2,4,4-trimethylcyclopentyl)amino]isoindole-1,3-dione
CID 106661628
3-[(2,4,4-trimethylcyclopentyl)amino]benzonitrile
CID 106661595
2-ethylsulfonyl-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662154
1-(2-methoxyethyl)-5-[(2,4,4-trimethylcyclopentyl)amino]pyridin-2-one
CID 106662121

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2,4,4-trimethylcyclopentyl)aniline?
The IUPAC name of 4-ethyl-N-(2,4,4-trimethylcyclopentyl)aniline (CID 106661610) is 4-ethyl-N-(2,4,4-trimethylcyclopentyl)aniline.
What is the SMILES notation for 4-ethyl-N-(2,4,4-trimethylcyclopentyl)aniline?
The canonical SMILES for 4-ethyl-N-(2,4,4-trimethylcyclopentyl)aniline is CCc1ccc(NC2CC(C)(C)CC2C)cc1.
What is the InChIKey of 4-ethyl-N-(2,4,4-trimethylcyclopentyl)aniline?
The InChIKey is OMQRSFQTGFAQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-5-13-6-8-14(9-7-13)17-15-11-16(3,4)10-12(15)2/h6-9,12,15,17H,5,10-11H2,1-4H3.
What are the key properties of 4-ethyl-N-(2,4,4-trimethylcyclopentyl)aniline?
4-ethyl-N-(2,4,4-trimethylcyclopentyl)aniline has a molecular weight of 231.38 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2,4,4-trimethylcyclopentyl)aniline is sourced from PubChem (CID 106661610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).