3-[(2-ethylcyclooctyl)-methylamino]propan-1-ol

C14H29NO — CID 71071638

IUPAC3-[(2-ethylcyclooctyl)-methylamino]propan-1-ol
SMILESCCC1CCCCCCC1N(C)CCCO
InChIInChI=1S/C14H29NO/c1-3-13-9-6-4-5-7-10-14(13)15(2)11-8-12-16/h13-14,16H,3-12H2,1-2H3
InChIKeyPYYZNAGCIRAEQA-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.05
Rot. Bonds5

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

3-[(2-ethylcyclooctyl)-methylamino]propan-1-ol (PubChem CID 71071638) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-[(2-ethylcyclooctyl)-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(2-ethylcyclooctyl)-methylamino]propan-1-ol
PubChem CID71071638
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-[(2-ethylcyclooctyl)-methylamino]propan-1-ol
SMILESCCC1CCCCCCC1N(C)CCCO
InChIInChI=1S/C14H29NO/c1-3-13-9-6-4-5-7-10-14(13)15(2)11-8-12-16/h13-14,16H,3-12H2,1-2H3
InChIKeyPYYZNAGCIRAEQA-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylcyclooctyl)-methylamino]propan-1-ol?
The IUPAC name of 3-[(2-ethylcyclooctyl)-methylamino]propan-1-ol (CID 71071638) is 3-[(2-ethylcyclooctyl)-methylamino]propan-1-ol.
What is the SMILES notation for 3-[(2-ethylcyclooctyl)-methylamino]propan-1-ol?
The canonical SMILES for 3-[(2-ethylcyclooctyl)-methylamino]propan-1-ol is CCC1CCCCCCC1N(C)CCCO.
What is the InChIKey of 3-[(2-ethylcyclooctyl)-methylamino]propan-1-ol?
The InChIKey is PYYZNAGCIRAEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-13-9-6-4-5-7-10-14(13)15(2)11-8-12-16/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 3-[(2-ethylcyclooctyl)-methylamino]propan-1-ol?
3-[(2-ethylcyclooctyl)-methylamino]propan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylcyclooctyl)-methylamino]propan-1-ol is sourced from PubChem (CID 71071638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).