2-[(3-aminocyclopentyl)amino]propane-1,3-diol

C8H18N2O2 — CID 79461491

IUPAC2-[(3-aminocyclopentyl)amino]propane-1,3-diol
SMILESNC1CCC(NC(CO)CO)C1
InChIInChI=1S/C8H18N2O2/c9-6-1-2-7(3-6)10-8(4-11)5-12/h6-8,10-12H,1-5,9H2
InChIKeyXJRZSHYPPQPQIQ-UHFFFAOYSA-N
MW174.24 g/mol
LogP-1.19
Rot. Bonds4

About 2-[(3-aminocyclopentyl)amino]propane-1,3-diol

2-[(3-aminocyclopentyl)amino]propane-1,3-diol (PubChem CID 79461491) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-[(3-aminocyclopentyl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(3-aminocyclopentyl)amino]propane-1,3-diol
PubChem CID79461491
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name2-[(3-aminocyclopentyl)amino]propane-1,3-diol
SMILESNC1CCC(NC(CO)CO)C1
InChIInChI=1S/C8H18N2O2/c9-6-1-2-7(3-6)10-8(4-11)5-12/h6-8,10-12H,1-5,9H2
InChIKeyXJRZSHYPPQPQIQ-UHFFFAOYSA-N
XLogP-1.19
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-1.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminocyclopentyl)amino]propane-1,3-diol?
The IUPAC name of 2-[(3-aminocyclopentyl)amino]propane-1,3-diol (CID 79461491) is 2-[(3-aminocyclopentyl)amino]propane-1,3-diol.
What is the SMILES notation for 2-[(3-aminocyclopentyl)amino]propane-1,3-diol?
The canonical SMILES for 2-[(3-aminocyclopentyl)amino]propane-1,3-diol is NC1CCC(NC(CO)CO)C1.
What is the InChIKey of 2-[(3-aminocyclopentyl)amino]propane-1,3-diol?
The InChIKey is XJRZSHYPPQPQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c9-6-1-2-7(3-6)10-8(4-11)5-12/h6-8,10-12H,1-5,9H2.
What are the key properties of 2-[(3-aminocyclopentyl)amino]propane-1,3-diol?
2-[(3-aminocyclopentyl)amino]propane-1,3-diol has a molecular weight of 174.24 g/mol, XLogP of -1.19, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminocyclopentyl)amino]propane-1,3-diol is sourced from PubChem (CID 79461491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).