1-(aminomethyl)-2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]cyclopentan-1-ol

C14H26N4O — CID 79587255

IUPAC1-(aminomethyl)-2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]cyclopentan-1-ol
SMILESCCc1nc(CC)n(CCC2CCCC2(O)CN)n1
InChIInChI=1S/C14H26N4O/c1-3-12-16-13(4-2)18(17-12)9-7-11-6-5-8-14(11,19)10-15/h11,19H,3-10,15H2,1-2H3
InChIKeyMMYSYGJDFKRGOG-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.28
Rot. Bonds6

About 1-(aminomethyl)-2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]cyclopentan-1-ol

1-(aminomethyl)-2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]cyclopentan-1-ol (PubChem CID 79587255) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-(aminomethyl)-2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]cyclopentan-1-ol
PubChem CID79587255
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-(aminomethyl)-2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]cyclopentan-1-ol
SMILESCCc1nc(CC)n(CCC2CCCC2(O)CN)n1
InChIInChI=1S/C14H26N4O/c1-3-12-16-13(4-2)18(17-12)9-7-11-6-5-8-14(11,19)10-15/h11,19H,3-10,15H2,1-2H3
InChIKeyMMYSYGJDFKRGOG-UHFFFAOYSA-N
XLogP1.28
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]cyclopentan-1-ol?
The IUPAC name of 1-(aminomethyl)-2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]cyclopentan-1-ol (CID 79587255) is 1-(aminomethyl)-2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-(aminomethyl)-2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]cyclopentan-1-ol is CCc1nc(CC)n(CCC2CCCC2(O)CN)n1.
What is the InChIKey of 1-(aminomethyl)-2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]cyclopentan-1-ol?
The InChIKey is MMYSYGJDFKRGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-3-12-16-13(4-2)18(17-12)9-7-11-6-5-8-14(11,19)10-15/h11,19H,3-10,15H2,1-2H3.
What are the key properties of 1-(aminomethyl)-2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]cyclopentan-1-ol?
1-(aminomethyl)-2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]cyclopentan-1-ol has a molecular weight of 266.39 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 79587255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).