3-amino-3-[3-(methylamino)propoxy]propan-1-ol

C7H18N2O2 — CID 19433273

IUPAC3-amino-3-[3-(methylamino)propoxy]propan-1-ol
SMILESCNCCCOC(N)CCO
InChIInChI=1S/C7H18N2O2/c1-9-4-2-6-11-7(8)3-5-10/h7,9-10H,2-6,8H2,1H3
InChIKeyLWVPRLCOODDJET-UHFFFAOYSA-N
MW162.23 g/mol
LogP-0.72
Rot. Bonds7

About 3-amino-3-[3-(methylamino)propoxy]propan-1-ol

3-amino-3-[3-(methylamino)propoxy]propan-1-ol (PubChem CID 19433273) has the molecular formula C7H18N2O2 and a molecular weight of 162.23 g/mol. Its IUPAC name is 3-amino-3-[3-(methylamino)propoxy]propan-1-ol.

Molecular Properties

Compound Name3-amino-3-[3-(methylamino)propoxy]propan-1-ol
PubChem CID19433273
Molecular FormulaC7H18N2O2
Molecular Weight162.23 g/mol
Exact Mass162.14
IUPAC Name3-amino-3-[3-(methylamino)propoxy]propan-1-ol
SMILESCNCCCOC(N)CCO
InChIInChI=1S/C7H18N2O2/c1-9-4-2-6-11-7(8)3-5-10/h7,9-10H,2-6,8H2,1H3
InChIKeyLWVPRLCOODDJET-UHFFFAOYSA-N
XLogP-0.72
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[3-(methylamino)propoxy]propan-1-ol?
The IUPAC name of 3-amino-3-[3-(methylamino)propoxy]propan-1-ol (CID 19433273) is 3-amino-3-[3-(methylamino)propoxy]propan-1-ol.
What is the SMILES notation for 3-amino-3-[3-(methylamino)propoxy]propan-1-ol?
The canonical SMILES for 3-amino-3-[3-(methylamino)propoxy]propan-1-ol is CNCCCOC(N)CCO.
What is the InChIKey of 3-amino-3-[3-(methylamino)propoxy]propan-1-ol?
The InChIKey is LWVPRLCOODDJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2/c1-9-4-2-6-11-7(8)3-5-10/h7,9-10H,2-6,8H2,1H3.
What are the key properties of 3-amino-3-[3-(methylamino)propoxy]propan-1-ol?
3-amino-3-[3-(methylamino)propoxy]propan-1-ol has a molecular weight of 162.23 g/mol, XLogP of -0.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[3-(methylamino)propoxy]propan-1-ol is sourced from PubChem (CID 19433273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).