11-[bis(2-hydroxyethyl)amino]-7-ethyl-4,4,9,9-tetramethylundec-6-en-2-ol

C21H43NO3 — CID 90763470

IUPAC11-[bis(2-hydroxyethyl)amino]-7-ethyl-4,4,9,9-tetramethylundec-6-en-2-ol
SMILESCCC(=CCC(C)(C)CC(C)O)CC(C)(C)CCN(CCO)CCO
InChIInChI=1S/C21H43NO3/c1-7-19(8-9-20(3,4)16-18(2)25)17-21(5,6)10-11-22(12-14-23)13-15-24/h8,18,23-25H,7,9-17H2,1-6H3
InChIKeyZVJRUXANQSFLGD-UHFFFAOYSA-N
MW357.58 g/mol
LogP3.60
Rot. Bonds14

About 11-[bis(2-hydroxyethyl)amino]-7-ethyl-4,4,9,9-tetramethylundec-6-en-2-ol

11-[bis(2-hydroxyethyl)amino]-7-ethyl-4,4,9,9-tetramethylundec-6-en-2-ol (PubChem CID 90763470) has the molecular formula C21H43NO3 and a molecular weight of 357.58 g/mol. Its IUPAC name is 11-[bis(2-hydroxyethyl)amino]-7-ethyl-4,4,9,9-tetramethylundec-6-en-2-ol.

Molecular Properties

Compound Name11-[bis(2-hydroxyethyl)amino]-7-ethyl-4,4,9,9-tetramethylundec-6-en-2-ol
PubChem CID90763470
Molecular FormulaC21H43NO3
Molecular Weight357.58 g/mol
Exact Mass357.32
IUPAC Name11-[bis(2-hydroxyethyl)amino]-7-ethyl-4,4,9,9-tetramethylundec-6-en-2-ol
SMILESCCC(=CCC(C)(C)CC(C)O)CC(C)(C)CCN(CCO)CCO
InChIInChI=1S/C21H43NO3/c1-7-19(8-9-20(3,4)16-18(2)25)17-21(5,6)10-11-22(12-14-23)13-15-24/h8,18,23-25H,7,9-17H2,1-6H3
InChIKeyZVJRUXANQSFLGD-UHFFFAOYSA-N
XLogP3.60
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.58
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-[bis(2-hydroxyethyl)amino]-7-ethyl-4,4,9,9-tetramethylundec-6-en-2-ol?
The IUPAC name of 11-[bis(2-hydroxyethyl)amino]-7-ethyl-4,4,9,9-tetramethylundec-6-en-2-ol (CID 90763470) is 11-[bis(2-hydroxyethyl)amino]-7-ethyl-4,4,9,9-tetramethylundec-6-en-2-ol.
What is the SMILES notation for 11-[bis(2-hydroxyethyl)amino]-7-ethyl-4,4,9,9-tetramethylundec-6-en-2-ol?
The canonical SMILES for 11-[bis(2-hydroxyethyl)amino]-7-ethyl-4,4,9,9-tetramethylundec-6-en-2-ol is CCC(=CCC(C)(C)CC(C)O)CC(C)(C)CCN(CCO)CCO.
What is the InChIKey of 11-[bis(2-hydroxyethyl)amino]-7-ethyl-4,4,9,9-tetramethylundec-6-en-2-ol?
The InChIKey is ZVJRUXANQSFLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO3/c1-7-19(8-9-20(3,4)16-18(2)25)17-21(5,6)10-11-22(12-14-23)13-15-24/h8,18,23-25H,7,9-17H2,1-6H3.
What are the key properties of 11-[bis(2-hydroxyethyl)amino]-7-ethyl-4,4,9,9-tetramethylundec-6-en-2-ol?
11-[bis(2-hydroxyethyl)amino]-7-ethyl-4,4,9,9-tetramethylundec-6-en-2-ol has a molecular weight of 357.58 g/mol, XLogP of 3.60, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[bis(2-hydroxyethyl)amino]-7-ethyl-4,4,9,9-tetramethylundec-6-en-2-ol is sourced from PubChem (CID 90763470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).