ethylbenzene;1-(4-methoxyphenyl)-1-N,1-N,4-N-trimethylcyclohexane-1,4-diamine

C24H36N2O — CID 70507718

IUPACethylbenzene;1-(4-methoxyphenyl)-1-N,1-N,4-N-trimethylcyclohexane-1,4-diamine
SMILESCCc1ccccc1.CNC1CCC(c2ccc(OC)cc2)(N(C)C)CC1
InChIInChI=1S/C16H26N2O.C8H10/c1-17-14-9-11-16(12-10-14,18(2)3)13-5-7-15(19-4)8-6-13;1-2-8-6-4-3-5-7-8/h5-8,14,17H,9-12H2,1-4H3;3-7H,2H2,1H3
InChIKeyBGDLOLFIGAWXOK-UHFFFAOYSA-N
MW368.57 g/mol
LogP4.86
Rot. Bonds5

About ethylbenzene;1-(4-methoxyphenyl)-1-N,1-N,4-N-trimethylcyclohexane-1,4-diamine

ethylbenzene;1-(4-methoxyphenyl)-1-N,1-N,4-N-trimethylcyclohexane-1,4-diamine (PubChem CID 70507718) has the molecular formula C24H36N2O and a molecular weight of 368.57 g/mol. Its IUPAC name is ethylbenzene;1-(4-methoxyphenyl)-1-N,1-N,4-N-trimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Nameethylbenzene;1-(4-methoxyphenyl)-1-N,1-N,4-N-trimethylcyclohexane-1,4-diamine
PubChem CID70507718
Molecular FormulaC24H36N2O
Molecular Weight368.57 g/mol
Exact Mass368.28
IUPAC Nameethylbenzene;1-(4-methoxyphenyl)-1-N,1-N,4-N-trimethylcyclohexane-1,4-diamine
SMILESCCc1ccccc1.CNC1CCC(c2ccc(OC)cc2)(N(C)C)CC1
InChIInChI=1S/C16H26N2O.C8H10/c1-17-14-9-11-16(12-10-14,18(2)3)13-5-7-15(19-4)8-6-13;1-2-8-6-4-3-5-7-8/h5-8,14,17H,9-12H2,1-4H3;3-7H,2H2,1H3
InChIKeyBGDLOLFIGAWXOK-UHFFFAOYSA-N
XLogP4.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethylbenzene;1-(4-methoxyphenyl)-1-N,1-N,4-N-trimethylcyclohexane-1,4-diamine?
The IUPAC name of ethylbenzene;1-(4-methoxyphenyl)-1-N,1-N,4-N-trimethylcyclohexane-1,4-diamine (CID 70507718) is ethylbenzene;1-(4-methoxyphenyl)-1-N,1-N,4-N-trimethylcyclohexane-1,4-diamine.
What is the SMILES notation for ethylbenzene;1-(4-methoxyphenyl)-1-N,1-N,4-N-trimethylcyclohexane-1,4-diamine?
The canonical SMILES for ethylbenzene;1-(4-methoxyphenyl)-1-N,1-N,4-N-trimethylcyclohexane-1,4-diamine is CCc1ccccc1.CNC1CCC(c2ccc(OC)cc2)(N(C)C)CC1.
What is the InChIKey of ethylbenzene;1-(4-methoxyphenyl)-1-N,1-N,4-N-trimethylcyclohexane-1,4-diamine?
The InChIKey is BGDLOLFIGAWXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.C8H10/c1-17-14-9-11-16(12-10-14,18(2)3)13-5-7-15(19-4)8-6-13;1-2-8-6-4-3-5-7-8/h5-8,14,17H,9-12H2,1-4H3;3-7H,2H2,1H3.
What are the key properties of ethylbenzene;1-(4-methoxyphenyl)-1-N,1-N,4-N-trimethylcyclohexane-1,4-diamine?
ethylbenzene;1-(4-methoxyphenyl)-1-N,1-N,4-N-trimethylcyclohexane-1,4-diamine has a molecular weight of 368.57 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;1-(4-methoxyphenyl)-1-N,1-N,4-N-trimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 70507718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).