1,2-diaminocyclopentan-1-ol

C5H12N2O — CID 22410822

IUPAC1,2-diaminocyclopentan-1-ol
SMILESNC1CCCC1(N)O
InChIInChI=1S/C5H12N2O/c6-4-2-1-3-5(4,7)8/h4,8H,1-3,6-7H2
InChIKeyUAORNSROVKNDFE-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.86
Rot. Bonds

About 1,2-diaminocyclopentan-1-ol

1,2-diaminocyclopentan-1-ol (PubChem CID 22410822) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 1,2-diaminocyclopentan-1-ol.

Molecular Properties

Compound Name1,2-diaminocyclopentan-1-ol
PubChem CID22410822
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name1,2-diaminocyclopentan-1-ol
SMILESNC1CCCC1(N)O
InChIInChI=1S/C5H12N2O/c6-4-2-1-3-5(4,7)8/h4,8H,1-3,6-7H2
InChIKeyUAORNSROVKNDFE-UHFFFAOYSA-N
XLogP-0.86
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 1,2-diaminocyclopentan-1-ol?
The IUPAC name of 1,2-diaminocyclopentan-1-ol (CID 22410822) is 1,2-diaminocyclopentan-1-ol.
What is the SMILES notation for 1,2-diaminocyclopentan-1-ol?
The canonical SMILES for 1,2-diaminocyclopentan-1-ol is NC1CCCC1(N)O.
What is the InChIKey of 1,2-diaminocyclopentan-1-ol?
The InChIKey is UAORNSROVKNDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c6-4-2-1-3-5(4,7)8/h4,8H,1-3,6-7H2.
What are the key properties of 1,2-diaminocyclopentan-1-ol?
1,2-diaminocyclopentan-1-ol has a molecular weight of 116.16 g/mol, XLogP of -0.86, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diaminocyclopentan-1-ol is sourced from PubChem (CID 22410822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).