2-[(4-aminocyclohexyl)methyl]-N,N-dimethylaniline

C15H24N2 — CID 66703006

IUPAC2-[(4-aminocyclohexyl)methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccccc1CC1CCC(N)CC1
InChIInChI=1S/C15H24N2/c1-17(2)15-6-4-3-5-13(15)11-12-7-9-14(16)10-8-12/h3-6,12,14H,7-11,16H2,1-2H3
InChIKeyGBQOIYFDPBUXLG-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.81
Rot. Bonds3

About 2-[(4-aminocyclohexyl)methyl]-N,N-dimethylaniline

2-[(4-aminocyclohexyl)methyl]-N,N-dimethylaniline (PubChem CID 66703006) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)methyl]-N,N-dimethylaniline
PubChem CID66703006
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-[(4-aminocyclohexyl)methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccccc1CC1CCC(N)CC1
InChIInChI=1S/C15H24N2/c1-17(2)15-6-4-3-5-13(15)11-12-7-9-14(16)10-8-12/h3-6,12,14H,7-11,16H2,1-2H3
InChIKeyGBQOIYFDPBUXLG-UHFFFAOYSA-N
XLogP2.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)methyl]-N,N-dimethylaniline?
The IUPAC name of 2-[(4-aminocyclohexyl)methyl]-N,N-dimethylaniline (CID 66703006) is 2-[(4-aminocyclohexyl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 2-[(4-aminocyclohexyl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 2-[(4-aminocyclohexyl)methyl]-N,N-dimethylaniline is CN(C)c1ccccc1CC1CCC(N)CC1.
What is the InChIKey of 2-[(4-aminocyclohexyl)methyl]-N,N-dimethylaniline?
The InChIKey is GBQOIYFDPBUXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-17(2)15-6-4-3-5-13(15)11-12-7-9-14(16)10-8-12/h3-6,12,14H,7-11,16H2,1-2H3.
What are the key properties of 2-[(4-aminocyclohexyl)methyl]-N,N-dimethylaniline?
2-[(4-aminocyclohexyl)methyl]-N,N-dimethylaniline has a molecular weight of 232.37 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 66703006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).