3-[2-(methylamino)ethyl-prop-2-enylamino]propan-1-ol

C9H20N2O — CID 155323904

IUPAC3-[2-(methylamino)ethyl-prop-2-enylamino]propan-1-ol
SMILESC=CCN(CCCO)CCNC
InChIInChI=1S/C9H20N2O/c1-3-6-11(7-4-9-12)8-5-10-2/h3,10,12H,1,4-9H2,2H3
InChIKeyOMDAKZXRLHQQTD-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.08
Rot. Bonds8

About 3-[2-(methylamino)ethyl-prop-2-enylamino]propan-1-ol

3-[2-(methylamino)ethyl-prop-2-enylamino]propan-1-ol (PubChem CID 155323904) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-[2-(methylamino)ethyl-prop-2-enylamino]propan-1-ol.

Molecular Properties

Compound Name3-[2-(methylamino)ethyl-prop-2-enylamino]propan-1-ol
PubChem CID155323904
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name3-[2-(methylamino)ethyl-prop-2-enylamino]propan-1-ol
SMILESC=CCN(CCCO)CCNC
InChIInChI=1S/C9H20N2O/c1-3-6-11(7-4-9-12)8-5-10-2/h3,10,12H,1,4-9H2,2H3
InChIKeyOMDAKZXRLHQQTD-UHFFFAOYSA-N
XLogP0.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)ethyl-prop-2-enylamino]propan-1-ol?
The IUPAC name of 3-[2-(methylamino)ethyl-prop-2-enylamino]propan-1-ol (CID 155323904) is 3-[2-(methylamino)ethyl-prop-2-enylamino]propan-1-ol.
What is the SMILES notation for 3-[2-(methylamino)ethyl-prop-2-enylamino]propan-1-ol?
The canonical SMILES for 3-[2-(methylamino)ethyl-prop-2-enylamino]propan-1-ol is C=CCN(CCCO)CCNC.
What is the InChIKey of 3-[2-(methylamino)ethyl-prop-2-enylamino]propan-1-ol?
The InChIKey is OMDAKZXRLHQQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-6-11(7-4-9-12)8-5-10-2/h3,10,12H,1,4-9H2,2H3.
What are the key properties of 3-[2-(methylamino)ethyl-prop-2-enylamino]propan-1-ol?
3-[2-(methylamino)ethyl-prop-2-enylamino]propan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 0.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)ethyl-prop-2-enylamino]propan-1-ol is sourced from PubChem (CID 155323904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).