N-ethyl-N-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]aniline

C19H32N2 — CID 63482884

IUPACN-ethyl-N-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]aniline
SMILESCCNC1CCC(CC)CC1CN(CC)c1ccccc1
InChIInChI=1S/C19H32N2/c1-4-16-12-13-19(20-5-2)17(14-16)15-21(6-3)18-10-8-7-9-11-18/h7-11,16-17,19-20H,4-6,12-15H2,1-3H3
InChIKeyRPKUFINPXUDQGR-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.32
Rot. Bonds7

About N-ethyl-N-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]aniline

N-ethyl-N-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]aniline (PubChem CID 63482884) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-ethyl-N-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]aniline.

Molecular Properties

Compound NameN-ethyl-N-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]aniline
PubChem CID63482884
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-ethyl-N-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]aniline
SMILESCCNC1CCC(CC)CC1CN(CC)c1ccccc1
InChIInChI=1S/C19H32N2/c1-4-16-12-13-19(20-5-2)17(14-16)15-21(6-3)18-10-8-7-9-11-18/h7-11,16-17,19-20H,4-6,12-15H2,1-3H3
InChIKeyRPKUFINPXUDQGR-UHFFFAOYSA-N
XLogP4.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]aniline?
The IUPAC name of N-ethyl-N-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]aniline (CID 63482884) is N-ethyl-N-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]aniline.
What is the SMILES notation for N-ethyl-N-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]aniline?
The canonical SMILES for N-ethyl-N-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]aniline is CCNC1CCC(CC)CC1CN(CC)c1ccccc1.
What is the InChIKey of N-ethyl-N-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]aniline?
The InChIKey is RPKUFINPXUDQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-16-12-13-19(20-5-2)17(14-16)15-21(6-3)18-10-8-7-9-11-18/h7-11,16-17,19-20H,4-6,12-15H2,1-3H3.
What are the key properties of N-ethyl-N-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]aniline?
N-ethyl-N-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]aniline has a molecular weight of 288.48 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]aniline is sourced from PubChem (CID 63482884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).