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

C15H28N2O2 — CID 173444063

IUPAC1-[1-[bis(prop-2-enyl)amino]prop-1-enyl-(1-hydroxypropyl)amino]propan-1-ol
SMILESC=CCN(CC=C)C(=CC)N(C(O)CC)C(O)CC
InChIInChI=1S/C15H28N2O2/c1-6-11-16(12-7-2)13(8-3)17(14(18)9-4)15(19)10-5/h6-8,14-15,18-19H,1-2,9-12H2,3-5H3
InChIKeyFMBKWMZKAWADIA-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.28
Rot. Bonds10

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

1-[1-[bis(prop-2-enyl)amino]prop-1-enyl-(1-hydroxypropyl)amino]propan-1-ol (PubChem CID 173444063) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[1-[bis(prop-2-enyl)amino]prop-1-enyl-(1-hydroxypropyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-[1-[bis(prop-2-enyl)amino]prop-1-enyl-(1-hydroxypropyl)amino]propan-1-ol
PubChem CID173444063
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-[1-[bis(prop-2-enyl)amino]prop-1-enyl-(1-hydroxypropyl)amino]propan-1-ol
SMILESC=CCN(CC=C)C(=CC)N(C(O)CC)C(O)CC
InChIInChI=1S/C15H28N2O2/c1-6-11-16(12-7-2)13(8-3)17(14(18)9-4)15(19)10-5/h6-8,14-15,18-19H,1-2,9-12H2,3-5H3
InChIKeyFMBKWMZKAWADIA-UHFFFAOYSA-N
XLogP2.28
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

1,1-Bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol
CID 87802517
1-[1-[Bis(prop-2-enyl)amino]propyl-methylamino]prop-2-en-1-ol
CID 87843665
1-[1-[Bis(prop-2-enyl)amino]ethyl-methylamino]ethanol
CID 87932033
2-[1-[Bis(prop-2-enyl)amino]prop-2-enyl-(2-hydroxyethyl)amino]ethanol
CID 88675384
3-[3-(Dimethylamino)prop-1-enyl-propylamino]propan-1-ol
CID 141752192
2-(1,3-Dimethyl-2,4-dihydropyrimidin-2-yl)ethanol
CID 146425268
2-(2,3-Dimethyl-2,4-dihydropyrimidin-1-yl)ethanol
CID 151996678
2-[1-(Dimethylamino)prop-1-enyl-(2-hydroxyethyl)amino]ethanol
CID 154429578
1-(2,3-Dimethyl-2,4-dihydropyrimidin-1-yl)ethanol
CID 156562683
2-[1-(Diethylamino)prop-1-enyl-(2-hydroxyethyl)amino]ethanol
CID 173034807
1-[1-(Dimethylamino)prop-1-enyl-(1-hydroxyethyl)amino]ethanol
CID 173439515
1-[1-[Bis(prop-2-enyl)amino]prop-1-enyl-(1-hydroxyethyl)amino]ethanol
CID 173444050

Frequently Asked Questions

What is the IUPAC name of 1-[1-[bis(prop-2-enyl)amino]prop-1-enyl-(1-hydroxypropyl)amino]propan-1-ol?
The IUPAC name of 1-[1-[bis(prop-2-enyl)amino]prop-1-enyl-(1-hydroxypropyl)amino]propan-1-ol (CID 173444063) is 1-[1-[bis(prop-2-enyl)amino]prop-1-enyl-(1-hydroxypropyl)amino]propan-1-ol.
What is the SMILES notation for 1-[1-[bis(prop-2-enyl)amino]prop-1-enyl-(1-hydroxypropyl)amino]propan-1-ol?
The canonical SMILES for 1-[1-[bis(prop-2-enyl)amino]prop-1-enyl-(1-hydroxypropyl)amino]propan-1-ol is C=CCN(CC=C)C(=CC)N(C(O)CC)C(O)CC.
What is the InChIKey of 1-[1-[bis(prop-2-enyl)amino]prop-1-enyl-(1-hydroxypropyl)amino]propan-1-ol?
The InChIKey is FMBKWMZKAWADIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-6-11-16(12-7-2)13(8-3)17(14(18)9-4)15(19)10-5/h6-8,14-15,18-19H,1-2,9-12H2,3-5H3.
What are the key properties of 1-[1-[bis(prop-2-enyl)amino]prop-1-enyl-(1-hydroxypropyl)amino]propan-1-ol?
1-[1-[bis(prop-2-enyl)amino]prop-1-enyl-(1-hydroxypropyl)amino]propan-1-ol has a molecular weight of 268.40 g/mol, XLogP of 2.28, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[bis(prop-2-enyl)amino]prop-1-enyl-(1-hydroxypropyl)amino]propan-1-ol is sourced from PubChem (CID 173444063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).