3-amino-6-(5-amino-3,4-dihydro-2H-pyrrol-2-yl)hexane-1,2-diol

C10H21N3O2 — CID 18428644

IUPAC3-amino-6-(5-amino-3,4-dihydro-2H-pyrrol-2-yl)hexane-1,2-diol
SMILESNC1=NC(CCCC(N)C(O)CO)CC1
InChIInChI=1S/C10H21N3O2/c11-8(9(15)6-14)3-1-2-7-4-5-10(12)13-7/h7-9,14-15H,1-6,11H2,(H2,12,13)
InChIKeyBDYZWMZIYNYSPK-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.64
Rot. Bonds6

About 3-amino-6-(5-amino-3,4-dihydro-2H-pyrrol-2-yl)hexane-1,2-diol

3-amino-6-(5-amino-3,4-dihydro-2H-pyrrol-2-yl)hexane-1,2-diol (PubChem CID 18428644) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-amino-6-(5-amino-3,4-dihydro-2H-pyrrol-2-yl)hexane-1,2-diol.

Molecular Properties

Compound Name3-amino-6-(5-amino-3,4-dihydro-2H-pyrrol-2-yl)hexane-1,2-diol
PubChem CID18428644
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name3-amino-6-(5-amino-3,4-dihydro-2H-pyrrol-2-yl)hexane-1,2-diol
SMILESNC1=NC(CCCC(N)C(O)CO)CC1
InChIInChI=1S/C10H21N3O2/c11-8(9(15)6-14)3-1-2-7-4-5-10(12)13-7/h7-9,14-15H,1-6,11H2,(H2,12,13)
InChIKeyBDYZWMZIYNYSPK-UHFFFAOYSA-N
XLogP-0.64
TPSA104.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(5-amino-3,4-dihydro-2H-pyrrol-2-yl)hexane-1,2-diol?
The IUPAC name of 3-amino-6-(5-amino-3,4-dihydro-2H-pyrrol-2-yl)hexane-1,2-diol (CID 18428644) is 3-amino-6-(5-amino-3,4-dihydro-2H-pyrrol-2-yl)hexane-1,2-diol.
What is the SMILES notation for 3-amino-6-(5-amino-3,4-dihydro-2H-pyrrol-2-yl)hexane-1,2-diol?
The canonical SMILES for 3-amino-6-(5-amino-3,4-dihydro-2H-pyrrol-2-yl)hexane-1,2-diol is NC1=NC(CCCC(N)C(O)CO)CC1.
What is the InChIKey of 3-amino-6-(5-amino-3,4-dihydro-2H-pyrrol-2-yl)hexane-1,2-diol?
The InChIKey is BDYZWMZIYNYSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c11-8(9(15)6-14)3-1-2-7-4-5-10(12)13-7/h7-9,14-15H,1-6,11H2,(H2,12,13).
What are the key properties of 3-amino-6-(5-amino-3,4-dihydro-2H-pyrrol-2-yl)hexane-1,2-diol?
3-amino-6-(5-amino-3,4-dihydro-2H-pyrrol-2-yl)hexane-1,2-diol has a molecular weight of 215.30 g/mol, XLogP of -0.64, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(5-amino-3,4-dihydro-2H-pyrrol-2-yl)hexane-1,2-diol is sourced from PubChem (CID 18428644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).