1-(aminomethyl)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentan-1-ol

C14H29NO3 — CID 106450791

IUPAC1-(aminomethyl)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentan-1-ol
SMILESCC(C)COCCOCCC1CCCC1(O)CN
InChIInChI=1S/C14H29NO3/c1-12(2)10-18-9-8-17-7-5-13-4-3-6-14(13,16)11-15/h12-13,16H,3-11,15H2,1-2H3
InChIKeyHYHMYSYXUCHFTR-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.56
Rot. Bonds9

About 1-(aminomethyl)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentan-1-ol

1-(aminomethyl)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentan-1-ol (PubChem CID 106450791) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(aminomethyl)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentan-1-ol
PubChem CID106450791
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name1-(aminomethyl)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentan-1-ol
SMILESCC(C)COCCOCCC1CCCC1(O)CN
InChIInChI=1S/C14H29NO3/c1-12(2)10-18-9-8-17-7-5-13-4-3-6-14(13,16)11-15/h12-13,16H,3-11,15H2,1-2H3
InChIKeyHYHMYSYXUCHFTR-UHFFFAOYSA-N
XLogP1.56
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-(aminomethyl)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentan-1-ol?
The IUPAC name of 1-(aminomethyl)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentan-1-ol (CID 106450791) is 1-(aminomethyl)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-(aminomethyl)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentan-1-ol is CC(C)COCCOCCC1CCCC1(O)CN.
What is the InChIKey of 1-(aminomethyl)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentan-1-ol?
The InChIKey is HYHMYSYXUCHFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-12(2)10-18-9-8-17-7-5-13-4-3-6-14(13,16)11-15/h12-13,16H,3-11,15H2,1-2H3.
What are the key properties of 1-(aminomethyl)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentan-1-ol?
1-(aminomethyl)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentan-1-ol has a molecular weight of 259.39 g/mol, XLogP of 1.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentan-1-ol is sourced from PubChem (CID 106450791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).