1-amino-3-[bis(prop-2-enyl)amino]propan-2-ol

C9H18N2O — CID 54773421

IUPAC1-amino-3-[bis(prop-2-enyl)amino]propan-2-ol
SMILESC=CCN(CC=C)CC(O)CN
InChIInChI=1S/C9H18N2O/c1-3-5-11(6-4-2)8-9(12)7-10/h3-4,9,12H,1-2,5-8,10H2
InChIKeyDAWLFOTVTHZOAW-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.02
Rot. Bonds7

About 1-amino-3-[bis(prop-2-enyl)amino]propan-2-ol

1-amino-3-[bis(prop-2-enyl)amino]propan-2-ol (PubChem CID 54773421) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-amino-3-[bis(prop-2-enyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[bis(prop-2-enyl)amino]propan-2-ol
PubChem CID54773421
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-amino-3-[bis(prop-2-enyl)amino]propan-2-ol
SMILESC=CCN(CC=C)CC(O)CN
InChIInChI=1S/C9H18N2O/c1-3-5-11(6-4-2)8-9(12)7-10/h3-4,9,12H,1-2,5-8,10H2
InChIKeyDAWLFOTVTHZOAW-UHFFFAOYSA-N
XLogP-0.02
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.02
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 1-amino-3-[bis(prop-2-enyl)amino]propan-2-ol?
The IUPAC name of 1-amino-3-[bis(prop-2-enyl)amino]propan-2-ol (CID 54773421) is 1-amino-3-[bis(prop-2-enyl)amino]propan-2-ol.
What is the SMILES notation for 1-amino-3-[bis(prop-2-enyl)amino]propan-2-ol?
The canonical SMILES for 1-amino-3-[bis(prop-2-enyl)amino]propan-2-ol is C=CCN(CC=C)CC(O)CN.
What is the InChIKey of 1-amino-3-[bis(prop-2-enyl)amino]propan-2-ol?
The InChIKey is DAWLFOTVTHZOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-5-11(6-4-2)8-9(12)7-10/h3-4,9,12H,1-2,5-8,10H2.
What are the key properties of 1-amino-3-[bis(prop-2-enyl)amino]propan-2-ol?
1-amino-3-[bis(prop-2-enyl)amino]propan-2-ol has a molecular weight of 170.26 g/mol, XLogP of -0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[bis(prop-2-enyl)amino]propan-2-ol is sourced from PubChem (CID 54773421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).