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

C15H31NO — CID 71071053

IUPAC3-[ethyl-(2-ethylcyclooctyl)amino]propan-1-ol
SMILESCCC1CCCCCCC1N(CC)CCCO
InChIInChI=1S/C15H31NO/c1-3-14-10-7-5-6-8-11-15(14)16(4-2)12-9-13-17/h14-15,17H,3-13H2,1-2H3
InChIKeyCIFYWUUOHABYSV-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.44
Rot. Bonds6

About 3-[ethyl-(2-ethylcyclooctyl)amino]propan-1-ol

3-[ethyl-(2-ethylcyclooctyl)amino]propan-1-ol (PubChem CID 71071053) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 3-[ethyl-(2-ethylcyclooctyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[ethyl-(2-ethylcyclooctyl)amino]propan-1-ol
PubChem CID71071053
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name3-[ethyl-(2-ethylcyclooctyl)amino]propan-1-ol
SMILESCCC1CCCCCCC1N(CC)CCCO
InChIInChI=1S/C15H31NO/c1-3-14-10-7-5-6-8-11-15(14)16(4-2)12-9-13-17/h14-15,17H,3-13H2,1-2H3
InChIKeyCIFYWUUOHABYSV-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(2-ethylcyclooctyl)amino]propan-1-ol?
The IUPAC name of 3-[ethyl-(2-ethylcyclooctyl)amino]propan-1-ol (CID 71071053) is 3-[ethyl-(2-ethylcyclooctyl)amino]propan-1-ol.
What is the SMILES notation for 3-[ethyl-(2-ethylcyclooctyl)amino]propan-1-ol?
The canonical SMILES for 3-[ethyl-(2-ethylcyclooctyl)amino]propan-1-ol is CCC1CCCCCCC1N(CC)CCCO.
What is the InChIKey of 3-[ethyl-(2-ethylcyclooctyl)amino]propan-1-ol?
The InChIKey is CIFYWUUOHABYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-3-14-10-7-5-6-8-11-15(14)16(4-2)12-9-13-17/h14-15,17H,3-13H2,1-2H3.
What are the key properties of 3-[ethyl-(2-ethylcyclooctyl)amino]propan-1-ol?
3-[ethyl-(2-ethylcyclooctyl)amino]propan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(2-ethylcyclooctyl)amino]propan-1-ol is sourced from PubChem (CID 71071053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).