1-[ethyl-(2-ethylcyclooctyl)amino]propan-1-ol

C15H31NO — CID 71071056

IUPAC1-[ethyl-(2-ethylcyclooctyl)amino]propan-1-ol
SMILESCCC1CCCCCCC1N(CC)C(O)CC
InChIInChI=1S/C15H31NO/c1-4-13-11-9-7-8-10-12-14(13)16(6-3)15(17)5-2/h13-15,17H,4-12H2,1-3H3
InChIKeyUSSQFASSBZOCOG-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.79
Rot. Bonds5

About 1-[ethyl-(2-ethylcyclooctyl)amino]propan-1-ol

1-[ethyl-(2-ethylcyclooctyl)amino]propan-1-ol (PubChem CID 71071056) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-[ethyl-(2-ethylcyclooctyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-[ethyl-(2-ethylcyclooctyl)amino]propan-1-ol
PubChem CID71071056
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-[ethyl-(2-ethylcyclooctyl)amino]propan-1-ol
SMILESCCC1CCCCCCC1N(CC)C(O)CC
InChIInChI=1S/C15H31NO/c1-4-13-11-9-7-8-10-12-14(13)16(6-3)15(17)5-2/h13-15,17H,4-12H2,1-3H3
InChIKeyUSSQFASSBZOCOG-UHFFFAOYSA-N
XLogP3.79
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-(2-ethylcyclooctyl)amino]propan-1-ol?
The IUPAC name of 1-[ethyl-(2-ethylcyclooctyl)amino]propan-1-ol (CID 71071056) is 1-[ethyl-(2-ethylcyclooctyl)amino]propan-1-ol.
What is the SMILES notation for 1-[ethyl-(2-ethylcyclooctyl)amino]propan-1-ol?
The canonical SMILES for 1-[ethyl-(2-ethylcyclooctyl)amino]propan-1-ol is CCC1CCCCCCC1N(CC)C(O)CC.
What is the InChIKey of 1-[ethyl-(2-ethylcyclooctyl)amino]propan-1-ol?
The InChIKey is USSQFASSBZOCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-13-11-9-7-8-10-12-14(13)16(6-3)15(17)5-2/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 1-[ethyl-(2-ethylcyclooctyl)amino]propan-1-ol?
1-[ethyl-(2-ethylcyclooctyl)amino]propan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-(2-ethylcyclooctyl)amino]propan-1-ol is sourced from PubChem (CID 71071056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).