5-[(2-ethylcyclohexyl)amino]pentan-1-ol

C13H27NO — CID 62227904

IUPAC5-[(2-ethylcyclohexyl)amino]pentan-1-ol
SMILESCCC1CCCCC1NCCCCCO
InChIInChI=1S/C13H27NO/c1-2-12-8-4-5-9-13(12)14-10-6-3-7-11-15/h12-15H,2-11H2,1H3
InChIKeyJRMFQIYCVBFJCQ-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.71
Rot. Bonds7

About 5-[(2-ethylcyclohexyl)amino]pentan-1-ol

5-[(2-ethylcyclohexyl)amino]pentan-1-ol (PubChem CID 62227904) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 5-[(2-ethylcyclohexyl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[(2-ethylcyclohexyl)amino]pentan-1-ol
PubChem CID62227904
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name5-[(2-ethylcyclohexyl)amino]pentan-1-ol
SMILESCCC1CCCCC1NCCCCCO
InChIInChI=1S/C13H27NO/c1-2-12-8-4-5-9-13(12)14-10-6-3-7-11-15/h12-15H,2-11H2,1H3
InChIKeyJRMFQIYCVBFJCQ-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylcyclohexyl)amino]pentan-1-ol?
The IUPAC name of 5-[(2-ethylcyclohexyl)amino]pentan-1-ol (CID 62227904) is 5-[(2-ethylcyclohexyl)amino]pentan-1-ol.
What is the SMILES notation for 5-[(2-ethylcyclohexyl)amino]pentan-1-ol?
The canonical SMILES for 5-[(2-ethylcyclohexyl)amino]pentan-1-ol is CCC1CCCCC1NCCCCCO.
What is the InChIKey of 5-[(2-ethylcyclohexyl)amino]pentan-1-ol?
The InChIKey is JRMFQIYCVBFJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-2-12-8-4-5-9-13(12)14-10-6-3-7-11-15/h12-15H,2-11H2,1H3.
What are the key properties of 5-[(2-ethylcyclohexyl)amino]pentan-1-ol?
5-[(2-ethylcyclohexyl)amino]pentan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylcyclohexyl)amino]pentan-1-ol is sourced from PubChem (CID 62227904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).