2-[[ethyl-(2-ethylcyclohexyl)amino]methyl]aniline

C17H28N2 — CID 63863049

IUPAC2-[[ethyl-(2-ethylcyclohexyl)amino]methyl]aniline
SMILESCCC1CCCCC1N(CC)Cc1ccccc1N
InChIInChI=1S/C17H28N2/c1-3-14-9-6-8-12-17(14)19(4-2)13-15-10-5-7-11-16(15)18/h5,7,10-11,14,17H,3-4,6,8-9,12-13,18H2,1-2H3
InChIKeyVPNWCVNQRGBCJT-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.06
Rot. Bonds5

About 2-[[ethyl-(2-ethylcyclohexyl)amino]methyl]aniline

2-[[ethyl-(2-ethylcyclohexyl)amino]methyl]aniline (PubChem CID 63863049) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-[[ethyl-(2-ethylcyclohexyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-[[ethyl-(2-ethylcyclohexyl)amino]methyl]aniline
PubChem CID63863049
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-[[ethyl-(2-ethylcyclohexyl)amino]methyl]aniline
SMILESCCC1CCCCC1N(CC)Cc1ccccc1N
InChIInChI=1S/C17H28N2/c1-3-14-9-6-8-12-17(14)19(4-2)13-15-10-5-7-11-16(15)18/h5,7,10-11,14,17H,3-4,6,8-9,12-13,18H2,1-2H3
InChIKeyVPNWCVNQRGBCJT-UHFFFAOYSA-N
XLogP4.06
TPSA29.26 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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-(2-ethylcyclohexyl)amino]methyl]aniline?
The IUPAC name of 2-[[ethyl-(2-ethylcyclohexyl)amino]methyl]aniline (CID 63863049) is 2-[[ethyl-(2-ethylcyclohexyl)amino]methyl]aniline.
What is the SMILES notation for 2-[[ethyl-(2-ethylcyclohexyl)amino]methyl]aniline?
The canonical SMILES for 2-[[ethyl-(2-ethylcyclohexyl)amino]methyl]aniline is CCC1CCCCC1N(CC)Cc1ccccc1N.
What is the InChIKey of 2-[[ethyl-(2-ethylcyclohexyl)amino]methyl]aniline?
The InChIKey is VPNWCVNQRGBCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-14-9-6-8-12-17(14)19(4-2)13-15-10-5-7-11-16(15)18/h5,7,10-11,14,17H,3-4,6,8-9,12-13,18H2,1-2H3.
What are the key properties of 2-[[ethyl-(2-ethylcyclohexyl)amino]methyl]aniline?
2-[[ethyl-(2-ethylcyclohexyl)amino]methyl]aniline has a molecular weight of 260.43 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-(2-ethylcyclohexyl)amino]methyl]aniline is sourced from PubChem (CID 63863049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).