1-amino-7-ethoxy-6,8-dimethoxy-1-(3,4,5-trimethoxycyclohexyl)decan-3-ol

C23H47NO7 — CID 91598533

IUPAC1-amino-7-ethoxy-6,8-dimethoxy-1-(3,4,5-trimethoxycyclohexyl)decan-3-ol
SMILESCCOC(C(CC)OC)C(CCC(O)CC(N)C1CC(OC)C(OC)C(OC)C1)OC
InChIInChI=1S/C23H47NO7/c1-8-18(26-3)23(31-9-2)19(27-4)11-10-16(25)14-17(24)15-12-20(28-5)22(30-7)21(13-15)29-6/h15-23,25H,8-14,24H2,1-7H3
InChIKeyYIZDFQWYPYTILB-UHFFFAOYSA-N
MW449.63 g/mol
LogP2.14
Rot. Bonds16

About 1-amino-7-ethoxy-6,8-dimethoxy-1-(3,4,5-trimethoxycyclohexyl)decan-3-ol

1-amino-7-ethoxy-6,8-dimethoxy-1-(3,4,5-trimethoxycyclohexyl)decan-3-ol (PubChem CID 91598533) has the molecular formula C23H47NO7 and a molecular weight of 449.63 g/mol. Its IUPAC name is 1-amino-7-ethoxy-6,8-dimethoxy-1-(3,4,5-trimethoxycyclohexyl)decan-3-ol.

Molecular Properties

Compound Name1-amino-7-ethoxy-6,8-dimethoxy-1-(3,4,5-trimethoxycyclohexyl)decan-3-ol
PubChem CID91598533
Molecular FormulaC23H47NO7
Molecular Weight449.63 g/mol
Exact Mass449.34
IUPAC Name1-amino-7-ethoxy-6,8-dimethoxy-1-(3,4,5-trimethoxycyclohexyl)decan-3-ol
SMILESCCOC(C(CC)OC)C(CCC(O)CC(N)C1CC(OC)C(OC)C(OC)C1)OC
InChIInChI=1S/C23H47NO7/c1-8-18(26-3)23(31-9-2)19(27-4)11-10-16(25)14-17(24)15-12-20(28-5)22(30-7)21(13-15)29-6/h15-23,25H,8-14,24H2,1-7H3
InChIKeyYIZDFQWYPYTILB-UHFFFAOYSA-N
XLogP2.14
TPSA101.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.63
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-amino-7-ethoxy-6,8-dimethoxy-1-(3,4,5-trimethoxycyclohexyl)decan-3-ol?
The IUPAC name of 1-amino-7-ethoxy-6,8-dimethoxy-1-(3,4,5-trimethoxycyclohexyl)decan-3-ol (CID 91598533) is 1-amino-7-ethoxy-6,8-dimethoxy-1-(3,4,5-trimethoxycyclohexyl)decan-3-ol.
What is the SMILES notation for 1-amino-7-ethoxy-6,8-dimethoxy-1-(3,4,5-trimethoxycyclohexyl)decan-3-ol?
The canonical SMILES for 1-amino-7-ethoxy-6,8-dimethoxy-1-(3,4,5-trimethoxycyclohexyl)decan-3-ol is CCOC(C(CC)OC)C(CCC(O)CC(N)C1CC(OC)C(OC)C(OC)C1)OC.
What is the InChIKey of 1-amino-7-ethoxy-6,8-dimethoxy-1-(3,4,5-trimethoxycyclohexyl)decan-3-ol?
The InChIKey is YIZDFQWYPYTILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47NO7/c1-8-18(26-3)23(31-9-2)19(27-4)11-10-16(25)14-17(24)15-12-20(28-5)22(30-7)21(13-15)29-6/h15-23,25H,8-14,24H2,1-7H3.
What are the key properties of 1-amino-7-ethoxy-6,8-dimethoxy-1-(3,4,5-trimethoxycyclohexyl)decan-3-ol?
1-amino-7-ethoxy-6,8-dimethoxy-1-(3,4,5-trimethoxycyclohexyl)decan-3-ol has a molecular weight of 449.63 g/mol, XLogP of 2.14, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-7-ethoxy-6,8-dimethoxy-1-(3,4,5-trimethoxycyclohexyl)decan-3-ol is sourced from PubChem (CID 91598533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).