2-[2-[cyclohexyl(ethyl)amino]ethyl]aniline

C16H26N2 — CID 55079431

IUPAC2-[2-[cyclohexyl(ethyl)amino]ethyl]aniline
SMILESCCN(CCc1ccccc1N)C1CCCCC1
InChIInChI=1S/C16H26N2/c1-2-18(15-9-4-3-5-10-15)13-12-14-8-6-7-11-16(14)17/h6-8,11,15H,2-5,9-10,12-13,17H2,1H3
InChIKeyMBLXINYUQHXHPY-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.47
Rot. Bonds5

About 2-[2-[cyclohexyl(ethyl)amino]ethyl]aniline

2-[2-[cyclohexyl(ethyl)amino]ethyl]aniline (PubChem CID 55079431) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-[2-[cyclohexyl(ethyl)amino]ethyl]aniline.

Molecular Properties

Compound Name2-[2-[cyclohexyl(ethyl)amino]ethyl]aniline
PubChem CID55079431
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-[2-[cyclohexyl(ethyl)amino]ethyl]aniline
SMILESCCN(CCc1ccccc1N)C1CCCCC1
InChIInChI=1S/C16H26N2/c1-2-18(15-9-4-3-5-10-15)13-12-14-8-6-7-11-16(14)17/h6-8,11,15H,2-5,9-10,12-13,17H2,1H3
InChIKeyMBLXINYUQHXHPY-UHFFFAOYSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[3-[cyclopentyl(2-methylpropyl)amino]propyl]aniline
CID 107274552
3-(2-aminophenyl)-N-cyclopentyl-N-ethylpropanamide
CID 43541570
2-[2-[cyclopropyl(furan-2-ylmethyl)amino]ethyl]aniline
CID 55079204
2-[[cyclopentyl(methyl)amino]methyl]aniline
CID 43266778
4-[3-[cyclohexyl(ethyl)amino]propyl]aniline
CID 115341723
N-ethyl-N-(2-thiophen-2-ylethyl)cyclohexanamine
CID 150257047
2-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]ethyl]aniline
CID 62496584
3-(2-aminophenyl)-N-cycloheptyl-N-methylpropanamide;hydrochloride
CID 120608410
3-[[cyclopropyl(ethyl)amino]methyl]-2-fluoroaniline
CID 107347213
2-[[ethyl-(2-ethylcyclohexyl)amino]methyl]aniline
CID 63863049
2-(2-aminophenyl)-N-cyclohexyl-N-methylacetamide
CID 16793266
2-[[cyclohexyl(ethyl)amino]methyl]benzohydrazide
CID 63571134

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclohexyl(ethyl)amino]ethyl]aniline?
The IUPAC name of 2-[2-[cyclohexyl(ethyl)amino]ethyl]aniline (CID 55079431) is 2-[2-[cyclohexyl(ethyl)amino]ethyl]aniline.
What is the SMILES notation for 2-[2-[cyclohexyl(ethyl)amino]ethyl]aniline?
The canonical SMILES for 2-[2-[cyclohexyl(ethyl)amino]ethyl]aniline is CCN(CCc1ccccc1N)C1CCCCC1.
What is the InChIKey of 2-[2-[cyclohexyl(ethyl)amino]ethyl]aniline?
The InChIKey is MBLXINYUQHXHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-18(15-9-4-3-5-10-15)13-12-14-8-6-7-11-16(14)17/h6-8,11,15H,2-5,9-10,12-13,17H2,1H3.
What are the key properties of 2-[2-[cyclohexyl(ethyl)amino]ethyl]aniline?
2-[2-[cyclohexyl(ethyl)amino]ethyl]aniline has a molecular weight of 246.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclohexyl(ethyl)amino]ethyl]aniline is sourced from PubChem (CID 55079431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).