1-(aminomethyl)-2-[2-(2-propan-2-yloxyethoxy)ethyl]cyclopentan-1-ol

C13H27NO3 — CID 79586692

IUPAC1-(aminomethyl)-2-[2-(2-propan-2-yloxyethoxy)ethyl]cyclopentan-1-ol
SMILESCC(C)OCCOCCC1CCCC1(O)CN
InChIInChI=1S/C13H27NO3/c1-11(2)17-9-8-16-7-5-12-4-3-6-13(12,15)10-14/h11-12,15H,3-10,14H2,1-2H3
InChIKeyQPFSKDBIGWXUGM-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.31
Rot. Bonds8

About 1-(aminomethyl)-2-[2-(2-propan-2-yloxyethoxy)ethyl]cyclopentan-1-ol

1-(aminomethyl)-2-[2-(2-propan-2-yloxyethoxy)ethyl]cyclopentan-1-ol (PubChem CID 79586692) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 1-(aminomethyl)-2-[2-(2-propan-2-yloxyethoxy)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-2-[2-(2-propan-2-yloxyethoxy)ethyl]cyclopentan-1-ol
PubChem CID79586692
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name1-(aminomethyl)-2-[2-(2-propan-2-yloxyethoxy)ethyl]cyclopentan-1-ol
SMILESCC(C)OCCOCCC1CCCC1(O)CN
InChIInChI=1S/C13H27NO3/c1-11(2)17-9-8-16-7-5-12-4-3-6-13(12,15)10-14/h11-12,15H,3-10,14H2,1-2H3
InChIKeyQPFSKDBIGWXUGM-UHFFFAOYSA-N
XLogP1.31
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.31
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-propan-2-yloxyethoxy)ethyl]cyclopentan-1-ol?
The IUPAC name of 1-(aminomethyl)-2-[2-(2-propan-2-yloxyethoxy)ethyl]cyclopentan-1-ol (CID 79586692) is 1-(aminomethyl)-2-[2-(2-propan-2-yloxyethoxy)ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-2-[2-(2-propan-2-yloxyethoxy)ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-(aminomethyl)-2-[2-(2-propan-2-yloxyethoxy)ethyl]cyclopentan-1-ol is CC(C)OCCOCCC1CCCC1(O)CN.
What is the InChIKey of 1-(aminomethyl)-2-[2-(2-propan-2-yloxyethoxy)ethyl]cyclopentan-1-ol?
The InChIKey is QPFSKDBIGWXUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-11(2)17-9-8-16-7-5-12-4-3-6-13(12,15)10-14/h11-12,15H,3-10,14H2,1-2H3.
What are the key properties of 1-(aminomethyl)-2-[2-(2-propan-2-yloxyethoxy)ethyl]cyclopentan-1-ol?
1-(aminomethyl)-2-[2-(2-propan-2-yloxyethoxy)ethyl]cyclopentan-1-ol has a molecular weight of 245.36 g/mol, XLogP of 1.31, 8 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-propan-2-yloxyethoxy)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 79586692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).