8-ethyl-1-methyl-7-propylazocan-3-ol

C13H27NO — CID 123268092

IUPAC8-ethyl-1-methyl-7-propylazocan-3-ol
SMILESCCCC1CCCC(O)CN(C)C1CC
InChIInChI=1S/C13H27NO/c1-4-7-11-8-6-9-12(15)10-14(3)13(11)5-2/h11-13,15H,4-10H2,1-3H3
InChIKeyJAXUVZJAJUUGDK-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.66
Rot. Bonds3

About 8-ethyl-1-methyl-7-propylazocan-3-ol

8-ethyl-1-methyl-7-propylazocan-3-ol (PubChem CID 123268092) has the molecular formula C13H27NO and a molecular weight of 213.37 g/mol. Its IUPAC name is 8-ethyl-1-methyl-7-propylazocan-3-ol.

Molecular Properties

Compound Name8-ethyl-1-methyl-7-propylazocan-3-ol
PubChem CID123268092
Molecular FormulaC13H27NO
Molecular Weight213.37 g/mol
Exact Mass213.21
IUPAC Name8-ethyl-1-methyl-7-propylazocan-3-ol
SMILESCCCC1CCCC(O)CN(C)C1CC
InChIInChI=1S/C13H27NO/c1-4-7-11-8-6-9-12(15)10-14(3)13(11)5-2/h11-13,15H,4-10H2,1-3H3
InChIKeyJAXUVZJAJUUGDK-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-1-methyl-7-propylazocan-3-ol?
The IUPAC name of 8-ethyl-1-methyl-7-propylazocan-3-ol (CID 123268092) is 8-ethyl-1-methyl-7-propylazocan-3-ol.
What is the SMILES notation for 8-ethyl-1-methyl-7-propylazocan-3-ol?
The canonical SMILES for 8-ethyl-1-methyl-7-propylazocan-3-ol is CCCC1CCCC(O)CN(C)C1CC.
What is the InChIKey of 8-ethyl-1-methyl-7-propylazocan-3-ol?
The InChIKey is JAXUVZJAJUUGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-7-11-8-6-9-12(15)10-14(3)13(11)5-2/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 8-ethyl-1-methyl-7-propylazocan-3-ol?
8-ethyl-1-methyl-7-propylazocan-3-ol has a molecular weight of 213.37 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-1-methyl-7-propylazocan-3-ol is sourced from PubChem (CID 123268092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).