2-(2-aminoethylamino)-1,2-dimethylcyclopentan-1-ol

C9H20N2O — CID 130674389

IUPAC2-(2-aminoethylamino)-1,2-dimethylcyclopentan-1-ol
SMILESCC1(O)CCCC1(C)NCCN
InChIInChI=1S/C9H20N2O/c1-8(11-7-6-10)4-3-5-9(8,2)12/h11-12H,3-7,10H2,1-2H3
InChIKeyUGFZRDCWSBZIAQ-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.23
Rot. Bonds3

About 2-(2-aminoethylamino)-1,2-dimethylcyclopentan-1-ol

2-(2-aminoethylamino)-1,2-dimethylcyclopentan-1-ol (PubChem CID 130674389) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-1,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name2-(2-aminoethylamino)-1,2-dimethylcyclopentan-1-ol
PubChem CID130674389
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-(2-aminoethylamino)-1,2-dimethylcyclopentan-1-ol
SMILESCC1(O)CCCC1(C)NCCN
InChIInChI=1S/C9H20N2O/c1-8(11-7-6-10)4-3-5-9(8,2)12/h11-12H,3-7,10H2,1-2H3
InChIKeyUGFZRDCWSBZIAQ-UHFFFAOYSA-N
XLogP0.23
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-1,2-dimethylcyclopentan-1-ol?
The IUPAC name of 2-(2-aminoethylamino)-1,2-dimethylcyclopentan-1-ol (CID 130674389) is 2-(2-aminoethylamino)-1,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 2-(2-aminoethylamino)-1,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 2-(2-aminoethylamino)-1,2-dimethylcyclopentan-1-ol is CC1(O)CCCC1(C)NCCN.
What is the InChIKey of 2-(2-aminoethylamino)-1,2-dimethylcyclopentan-1-ol?
The InChIKey is UGFZRDCWSBZIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(11-7-6-10)4-3-5-9(8,2)12/h11-12H,3-7,10H2,1-2H3.
What are the key properties of 2-(2-aminoethylamino)-1,2-dimethylcyclopentan-1-ol?
2-(2-aminoethylamino)-1,2-dimethylcyclopentan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-1,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 130674389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).