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

C15H26N2O — CID 11107777

IUPAC1,3-bis[bis(prop-2-enyl)amino]propan-2-ol
SMILESC=CCN(CC=C)CC(O)CN(CC=C)CC=C
InChIInChI=1S/C15H26N2O/c1-5-9-16(10-6-2)13-15(18)14-17(11-7-3)12-8-4/h5-8,15,18H,1-4,9-14H2
InChIKeyAZBREXNLRPHATP-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.70
Rot. Bonds12

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

1,3-bis[bis(prop-2-enyl)amino]propan-2-ol (PubChem CID 11107777) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1,3-bis[bis(prop-2-enyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,3-bis[bis(prop-2-enyl)amino]propan-2-ol
PubChem CID11107777
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1,3-bis[bis(prop-2-enyl)amino]propan-2-ol
SMILESC=CCN(CC=C)CC(O)CN(CC=C)CC=C
InChIInChI=1S/C15H26N2O/c1-5-9-16(10-6-2)13-15(18)14-17(11-7-3)12-8-4/h5-8,15,18H,1-4,9-14H2
InChIKeyAZBREXNLRPHATP-UHFFFAOYSA-N
XLogP1.70
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
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 1,3-bis[bis(prop-2-enyl)amino]propan-2-ol?
The IUPAC name of 1,3-bis[bis(prop-2-enyl)amino]propan-2-ol (CID 11107777) is 1,3-bis[bis(prop-2-enyl)amino]propan-2-ol.
What is the SMILES notation for 1,3-bis[bis(prop-2-enyl)amino]propan-2-ol?
The canonical SMILES for 1,3-bis[bis(prop-2-enyl)amino]propan-2-ol is C=CCN(CC=C)CC(O)CN(CC=C)CC=C.
What is the InChIKey of 1,3-bis[bis(prop-2-enyl)amino]propan-2-ol?
The InChIKey is AZBREXNLRPHATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-9-16(10-6-2)13-15(18)14-17(11-7-3)12-8-4/h5-8,15,18H,1-4,9-14H2.
What are the key properties of 1,3-bis[bis(prop-2-enyl)amino]propan-2-ol?
1,3-bis[bis(prop-2-enyl)amino]propan-2-ol has a molecular weight of 250.39 g/mol, XLogP of 1.70, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[bis(prop-2-enyl)amino]propan-2-ol is sourced from PubChem (CID 11107777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).