1-(aminomethyl)-2-[2-(1-methoxypropan-2-yloxy)ethyl]cyclopentan-1-ol

C12H25NO3 — CID 79586540

IUPAC1-(aminomethyl)-2-[2-(1-methoxypropan-2-yloxy)ethyl]cyclopentan-1-ol
SMILESCOCC(C)OCCC1CCCC1(O)CN
InChIInChI=1S/C12H25NO3/c1-10(8-15-2)16-7-5-11-4-3-6-12(11,14)9-13/h10-11,14H,3-9,13H2,1-2H3
InChIKeyXRCDKRXLPRBXQF-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.92
Rot. Bonds7

About 1-(aminomethyl)-2-[2-(1-methoxypropan-2-yloxy)ethyl]cyclopentan-1-ol

1-(aminomethyl)-2-[2-(1-methoxypropan-2-yloxy)ethyl]cyclopentan-1-ol (PubChem CID 79586540) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(aminomethyl)-2-[2-(1-methoxypropan-2-yloxy)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-2-[2-(1-methoxypropan-2-yloxy)ethyl]cyclopentan-1-ol
PubChem CID79586540
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name1-(aminomethyl)-2-[2-(1-methoxypropan-2-yloxy)ethyl]cyclopentan-1-ol
SMILESCOCC(C)OCCC1CCCC1(O)CN
InChIInChI=1S/C12H25NO3/c1-10(8-15-2)16-7-5-11-4-3-6-12(11,14)9-13/h10-11,14H,3-9,13H2,1-2H3
InChIKeyXRCDKRXLPRBXQF-UHFFFAOYSA-N
XLogP0.92
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-[2-(1-methoxypropan-2-yloxy)ethyl]cyclopentan-1-ol?
The IUPAC name of 1-(aminomethyl)-2-[2-(1-methoxypropan-2-yloxy)ethyl]cyclopentan-1-ol (CID 79586540) is 1-(aminomethyl)-2-[2-(1-methoxypropan-2-yloxy)ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-2-[2-(1-methoxypropan-2-yloxy)ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-(aminomethyl)-2-[2-(1-methoxypropan-2-yloxy)ethyl]cyclopentan-1-ol is COCC(C)OCCC1CCCC1(O)CN.
What is the InChIKey of 1-(aminomethyl)-2-[2-(1-methoxypropan-2-yloxy)ethyl]cyclopentan-1-ol?
The InChIKey is XRCDKRXLPRBXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-10(8-15-2)16-7-5-11-4-3-6-12(11,14)9-13/h10-11,14H,3-9,13H2,1-2H3.
What are the key properties of 1-(aminomethyl)-2-[2-(1-methoxypropan-2-yloxy)ethyl]cyclopentan-1-ol?
1-(aminomethyl)-2-[2-(1-methoxypropan-2-yloxy)ethyl]cyclopentan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-[2-(1-methoxypropan-2-yloxy)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 79586540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).