1-[1-[bis(prop-2-enyl)amino]propyl-methylamino]prop-2-en-1-ol

C13H24N2O — CID 87843665

IUPAC1-[1-[bis(prop-2-enyl)amino]propyl-methylamino]prop-2-en-1-ol
SMILESC=CCN(CC=C)C(CC)N(C)C(O)C=C
InChIInChI=1S/C13H24N2O/c1-6-10-15(11-7-2)12(8-3)14(5)13(16)9-4/h6-7,9,12-13,16H,1-2,4,8,10-11H2,3,5H3
InChIKeyAARNCYHZKWQVPE-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.83
Rot. Bonds9

About 1-[1-[bis(prop-2-enyl)amino]propyl-methylamino]prop-2-en-1-ol

1-[1-[bis(prop-2-enyl)amino]propyl-methylamino]prop-2-en-1-ol (PubChem CID 87843665) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[1-[bis(prop-2-enyl)amino]propyl-methylamino]prop-2-en-1-ol.

Molecular Properties

Compound Name1-[1-[bis(prop-2-enyl)amino]propyl-methylamino]prop-2-en-1-ol
PubChem CID87843665
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-[1-[bis(prop-2-enyl)amino]propyl-methylamino]prop-2-en-1-ol
SMILESC=CCN(CC=C)C(CC)N(C)C(O)C=C
InChIInChI=1S/C13H24N2O/c1-6-10-15(11-7-2)12(8-3)14(5)13(16)9-4/h6-7,9,12-13,16H,1-2,4,8,10-11H2,3,5H3
InChIKeyAARNCYHZKWQVPE-UHFFFAOYSA-N
XLogP1.83
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[bis(prop-2-enyl)amino]propyl-methylamino]prop-2-en-1-ol?
The IUPAC name of 1-[1-[bis(prop-2-enyl)amino]propyl-methylamino]prop-2-en-1-ol (CID 87843665) is 1-[1-[bis(prop-2-enyl)amino]propyl-methylamino]prop-2-en-1-ol.
What is the SMILES notation for 1-[1-[bis(prop-2-enyl)amino]propyl-methylamino]prop-2-en-1-ol?
The canonical SMILES for 1-[1-[bis(prop-2-enyl)amino]propyl-methylamino]prop-2-en-1-ol is C=CCN(CC=C)C(CC)N(C)C(O)C=C.
What is the InChIKey of 1-[1-[bis(prop-2-enyl)amino]propyl-methylamino]prop-2-en-1-ol?
The InChIKey is AARNCYHZKWQVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-6-10-15(11-7-2)12(8-3)14(5)13(16)9-4/h6-7,9,12-13,16H,1-2,4,8,10-11H2,3,5H3.
What are the key properties of 1-[1-[bis(prop-2-enyl)amino]propyl-methylamino]prop-2-en-1-ol?
1-[1-[bis(prop-2-enyl)amino]propyl-methylamino]prop-2-en-1-ol has a molecular weight of 224.35 g/mol, XLogP of 1.83, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[bis(prop-2-enyl)amino]propyl-methylamino]prop-2-en-1-ol is sourced from PubChem (CID 87843665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).