1-[1-(aminomethyl)cyclopentyl]-2,2-dimethoxyethanol

C10H21NO3 — CID 79123314

IUPAC1-[1-(aminomethyl)cyclopentyl]-2,2-dimethoxyethanol
SMILESCOC(OC)C(O)C1(CN)CCCC1
InChIInChI=1S/C10H21NO3/c1-13-9(14-2)8(12)10(7-11)5-3-4-6-10/h8-9,12H,3-7,11H2,1-2H3
InChIKeyBZSILIOJSXCKPC-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.49
Rot. Bonds5

About 1-[1-(aminomethyl)cyclopentyl]-2,2-dimethoxyethanol

1-[1-(aminomethyl)cyclopentyl]-2,2-dimethoxyethanol (PubChem CID 79123314) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclopentyl]-2,2-dimethoxyethanol.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclopentyl]-2,2-dimethoxyethanol
PubChem CID79123314
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name1-[1-(aminomethyl)cyclopentyl]-2,2-dimethoxyethanol
SMILESCOC(OC)C(O)C1(CN)CCCC1
InChIInChI=1S/C10H21NO3/c1-13-9(14-2)8(12)10(7-11)5-3-4-6-10/h8-9,12H,3-7,11H2,1-2H3
InChIKeyBZSILIOJSXCKPC-UHFFFAOYSA-N
XLogP0.49
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclopentyl]-2,2-dimethoxyethanol?
The IUPAC name of 1-[1-(aminomethyl)cyclopentyl]-2,2-dimethoxyethanol (CID 79123314) is 1-[1-(aminomethyl)cyclopentyl]-2,2-dimethoxyethanol.
What is the SMILES notation for 1-[1-(aminomethyl)cyclopentyl]-2,2-dimethoxyethanol?
The canonical SMILES for 1-[1-(aminomethyl)cyclopentyl]-2,2-dimethoxyethanol is COC(OC)C(O)C1(CN)CCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclopentyl]-2,2-dimethoxyethanol?
The InChIKey is BZSILIOJSXCKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-13-9(14-2)8(12)10(7-11)5-3-4-6-10/h8-9,12H,3-7,11H2,1-2H3.
What are the key properties of 1-[1-(aminomethyl)cyclopentyl]-2,2-dimethoxyethanol?
1-[1-(aminomethyl)cyclopentyl]-2,2-dimethoxyethanol has a molecular weight of 203.28 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclopentyl]-2,2-dimethoxyethanol is sourced from PubChem (CID 79123314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).