2-[2-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexa-1,3-dien-1-yl]oxyethanol

C18H31NO2 — CID 142230429

IUPAC2-[2-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexa-1,3-dien-1-yl]oxyethanol
SMILESCCC1CCC(CNCC2=C(OCCO)CCC=C2)CC1
InChIInChI=1S/C18H31NO2/c1-2-15-7-9-16(10-8-15)13-19-14-17-5-3-4-6-18(17)21-12-11-20/h3,5,15-16,19-20H,2,4,6-14H2,1H3
InChIKeyXNFVQECUIKAZIV-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.41
Rot. Bonds8

About 2-[2-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexa-1,3-dien-1-yl]oxyethanol

2-[2-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexa-1,3-dien-1-yl]oxyethanol (PubChem CID 142230429) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-[2-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexa-1,3-dien-1-yl]oxyethanol.

Molecular Properties

Compound Name2-[2-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexa-1,3-dien-1-yl]oxyethanol
PubChem CID142230429
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name2-[2-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexa-1,3-dien-1-yl]oxyethanol
SMILESCCC1CCC(CNCC2=C(OCCO)CCC=C2)CC1
InChIInChI=1S/C18H31NO2/c1-2-15-7-9-16(10-8-15)13-19-14-17-5-3-4-6-18(17)21-12-11-20/h3,5,15-16,19-20H,2,4,6-14H2,1H3
InChIKeyXNFVQECUIKAZIV-UHFFFAOYSA-N
XLogP3.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexa-1,3-dien-1-yl]oxyethanol?
The IUPAC name of 2-[2-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexa-1,3-dien-1-yl]oxyethanol (CID 142230429) is 2-[2-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexa-1,3-dien-1-yl]oxyethanol.
What is the SMILES notation for 2-[2-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexa-1,3-dien-1-yl]oxyethanol?
The canonical SMILES for 2-[2-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexa-1,3-dien-1-yl]oxyethanol is CCC1CCC(CNCC2=C(OCCO)CCC=C2)CC1.
What is the InChIKey of 2-[2-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexa-1,3-dien-1-yl]oxyethanol?
The InChIKey is XNFVQECUIKAZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-2-15-7-9-16(10-8-15)13-19-14-17-5-3-4-6-18(17)21-12-11-20/h3,5,15-16,19-20H,2,4,6-14H2,1H3.
What are the key properties of 2-[2-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexa-1,3-dien-1-yl]oxyethanol?
2-[2-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexa-1,3-dien-1-yl]oxyethanol has a molecular weight of 293.45 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexa-1,3-dien-1-yl]oxyethanol is sourced from PubChem (CID 142230429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).