1-[2-[amino(methylamino)methyl]pyrrolidin-1-yl]-2-[[hydroxy(methoxy)methyl]amino]ethanol

C10H24N4O3 — CID 123849039

IUPAC1-[2-[amino(methylamino)methyl]pyrrolidin-1-yl]-2-[[hydroxy(methoxy)methyl]amino]ethanol
SMILESCNC(N)C1CCCN1C(O)CNC(O)OC
InChIInChI=1S/C10H24N4O3/c1-12-9(11)7-4-3-5-14(7)8(15)6-13-10(16)17-2/h7-10,12-13,15-16H,3-6,11H2,1-2H3
InChIKeyKISQCNLKPGZZOO-UHFFFAOYSA-N
MW248.33 g/mol
LogP-2.21
Rot. Bonds7

About 1-[2-[amino(methylamino)methyl]pyrrolidin-1-yl]-2-[[hydroxy(methoxy)methyl]amino]ethanol

1-[2-[amino(methylamino)methyl]pyrrolidin-1-yl]-2-[[hydroxy(methoxy)methyl]amino]ethanol (PubChem CID 123849039) has the molecular formula C10H24N4O3 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[2-[amino(methylamino)methyl]pyrrolidin-1-yl]-2-[[hydroxy(methoxy)methyl]amino]ethanol.

Molecular Properties

Compound Name1-[2-[amino(methylamino)methyl]pyrrolidin-1-yl]-2-[[hydroxy(methoxy)methyl]amino]ethanol
PubChem CID123849039
Molecular FormulaC10H24N4O3
Molecular Weight248.33 g/mol
Exact Mass248.18
IUPAC Name1-[2-[amino(methylamino)methyl]pyrrolidin-1-yl]-2-[[hydroxy(methoxy)methyl]amino]ethanol
SMILESCNC(N)C1CCCN1C(O)CNC(O)OC
InChIInChI=1S/C10H24N4O3/c1-12-9(11)7-4-3-5-14(7)8(15)6-13-10(16)17-2/h7-10,12-13,15-16H,3-6,11H2,1-2H3
InChIKeyKISQCNLKPGZZOO-UHFFFAOYSA-N
XLogP-2.21
TPSA103.01 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 5-2.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[2-[amino(methylamino)methyl]pyrrolidin-1-yl]-2-[[hydroxy(methoxy)methyl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[amino(methylamino)methyl]pyrrolidin-1-yl]-2-[[hydroxy(methoxy)methyl]amino]ethanol?
The IUPAC name of 1-[2-[amino(methylamino)methyl]pyrrolidin-1-yl]-2-[[hydroxy(methoxy)methyl]amino]ethanol (CID 123849039) is 1-[2-[amino(methylamino)methyl]pyrrolidin-1-yl]-2-[[hydroxy(methoxy)methyl]amino]ethanol.
What is the SMILES notation for 1-[2-[amino(methylamino)methyl]pyrrolidin-1-yl]-2-[[hydroxy(methoxy)methyl]amino]ethanol?
The canonical SMILES for 1-[2-[amino(methylamino)methyl]pyrrolidin-1-yl]-2-[[hydroxy(methoxy)methyl]amino]ethanol is CNC(N)C1CCCN1C(O)CNC(O)OC.
What is the InChIKey of 1-[2-[amino(methylamino)methyl]pyrrolidin-1-yl]-2-[[hydroxy(methoxy)methyl]amino]ethanol?
The InChIKey is KISQCNLKPGZZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O3/c1-12-9(11)7-4-3-5-14(7)8(15)6-13-10(16)17-2/h7-10,12-13,15-16H,3-6,11H2,1-2H3.
What are the key properties of 1-[2-[amino(methylamino)methyl]pyrrolidin-1-yl]-2-[[hydroxy(methoxy)methyl]amino]ethanol?
1-[2-[amino(methylamino)methyl]pyrrolidin-1-yl]-2-[[hydroxy(methoxy)methyl]amino]ethanol has a molecular weight of 248.33 g/mol, XLogP of -2.21, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[amino(methylamino)methyl]pyrrolidin-1-yl]-2-[[hydroxy(methoxy)methyl]amino]ethanol is sourced from PubChem (CID 123849039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).