4-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]-5-methyl-2-propan-2-yloxycyclohexa-1,5-dien-1-amine

C20H36N2O2 — CID 71094491

IUPAC4-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]-5-methyl-2-propan-2-yloxycyclohexa-1,5-dien-1-amine
SMILESCOCCN(C)C1CCC(C2CC(OC(C)C)=C(N)C=C2C)CC1
InChIInChI=1S/C20H36N2O2/c1-14(2)24-20-13-18(15(3)12-19(20)21)16-6-8-17(9-7-16)22(4)10-11-23-5/h12,14,16-18H,6-11,13,21H2,1-5H3
InChIKeyGXPZMUCRZJPBTC-UHFFFAOYSA-N
MW336.52 g/mol
LogP3.68
Rot. Bonds7

About 4-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]-5-methyl-2-propan-2-yloxycyclohexa-1,5-dien-1-amine

4-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]-5-methyl-2-propan-2-yloxycyclohexa-1,5-dien-1-amine (PubChem CID 71094491) has the molecular formula C20H36N2O2 and a molecular weight of 336.52 g/mol. Its IUPAC name is 4-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]-5-methyl-2-propan-2-yloxycyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]-5-methyl-2-propan-2-yloxycyclohexa-1,5-dien-1-amine
PubChem CID71094491
Molecular FormulaC20H36N2O2
Molecular Weight336.52 g/mol
Exact Mass336.28
IUPAC Name4-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]-5-methyl-2-propan-2-yloxycyclohexa-1,5-dien-1-amine
SMILESCOCCN(C)C1CCC(C2CC(OC(C)C)=C(N)C=C2C)CC1
InChIInChI=1S/C20H36N2O2/c1-14(2)24-20-13-18(15(3)12-19(20)21)16-6-8-17(9-7-16)22(4)10-11-23-5/h12,14,16-18H,6-11,13,21H2,1-5H3
InChIKeyGXPZMUCRZJPBTC-UHFFFAOYSA-N
XLogP3.68
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]-5-methyl-2-propan-2-yloxycyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]-5-methyl-2-propan-2-yloxycyclohexa-1,5-dien-1-amine (CID 71094491) is 4-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]-5-methyl-2-propan-2-yloxycyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]-5-methyl-2-propan-2-yloxycyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]-5-methyl-2-propan-2-yloxycyclohexa-1,5-dien-1-amine is COCCN(C)C1CCC(C2CC(OC(C)C)=C(N)C=C2C)CC1.
What is the InChIKey of 4-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]-5-methyl-2-propan-2-yloxycyclohexa-1,5-dien-1-amine?
The InChIKey is GXPZMUCRZJPBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O2/c1-14(2)24-20-13-18(15(3)12-19(20)21)16-6-8-17(9-7-16)22(4)10-11-23-5/h12,14,16-18H,6-11,13,21H2,1-5H3.
What are the key properties of 4-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]-5-methyl-2-propan-2-yloxycyclohexa-1,5-dien-1-amine?
4-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]-5-methyl-2-propan-2-yloxycyclohexa-1,5-dien-1-amine has a molecular weight of 336.52 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]-5-methyl-2-propan-2-yloxycyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 71094491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).