2-(diethylaminomethyl)-N-(2,6-dimethylcyclohexyl)aniline

C19H32N2 — CID 43729304

IUPAC2-(diethylaminomethyl)-N-(2,6-dimethylcyclohexyl)aniline
SMILESCCN(CC)Cc1ccccc1NC1C(C)CCCC1C
InChIInChI=1S/C19H32N2/c1-5-21(6-2)14-17-12-7-8-13-18(17)20-19-15(3)10-9-11-16(19)4/h7-8,12-13,15-16,19-20H,5-6,9-11,14H2,1-4H3
InChIKeyVQFWGCKUHFPQKK-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.76
Rot. Bonds6

About 2-(diethylaminomethyl)-N-(2,6-dimethylcyclohexyl)aniline

2-(diethylaminomethyl)-N-(2,6-dimethylcyclohexyl)aniline (PubChem CID 43729304) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-N-(2,6-dimethylcyclohexyl)aniline.

Molecular Properties

Compound Name2-(diethylaminomethyl)-N-(2,6-dimethylcyclohexyl)aniline
PubChem CID43729304
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-(diethylaminomethyl)-N-(2,6-dimethylcyclohexyl)aniline
SMILESCCN(CC)Cc1ccccc1NC1C(C)CCCC1C
InChIInChI=1S/C19H32N2/c1-5-21(6-2)14-17-12-7-8-13-18(17)20-19-15(3)10-9-11-16(19)4/h7-8,12-13,15-16,19-20H,5-6,9-11,14H2,1-4H3
InChIKeyVQFWGCKUHFPQKK-UHFFFAOYSA-N
XLogP4.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)-N-(2,6-dimethylcyclohexyl)aniline?
The IUPAC name of 2-(diethylaminomethyl)-N-(2,6-dimethylcyclohexyl)aniline (CID 43729304) is 2-(diethylaminomethyl)-N-(2,6-dimethylcyclohexyl)aniline.
What is the SMILES notation for 2-(diethylaminomethyl)-N-(2,6-dimethylcyclohexyl)aniline?
The canonical SMILES for 2-(diethylaminomethyl)-N-(2,6-dimethylcyclohexyl)aniline is CCN(CC)Cc1ccccc1NC1C(C)CCCC1C.
What is the InChIKey of 2-(diethylaminomethyl)-N-(2,6-dimethylcyclohexyl)aniline?
The InChIKey is VQFWGCKUHFPQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-21(6-2)14-17-12-7-8-13-18(17)20-19-15(3)10-9-11-16(19)4/h7-8,12-13,15-16,19-20H,5-6,9-11,14H2,1-4H3.
What are the key properties of 2-(diethylaminomethyl)-N-(2,6-dimethylcyclohexyl)aniline?
2-(diethylaminomethyl)-N-(2,6-dimethylcyclohexyl)aniline has a molecular weight of 288.48 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-N-(2,6-dimethylcyclohexyl)aniline is sourced from PubChem (CID 43729304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).