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

C15H30N2O2 — CID 88787077

IUPAC3-[3-[bis(prop-2-enyl)amino]propyl-(3-hydroxypropyl)amino]propan-1-ol
SMILESC=CCN(CC=C)CCCN(CCCO)CCCO
InChIInChI=1S/C15H30N2O2/c1-3-8-16(9-4-2)10-5-11-17(12-6-14-18)13-7-15-19/h3-4,18-19H,1-2,5-15H2
InChIKeyPCLOCQKZBSJWCT-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.12
Rot. Bonds14

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

3-[3-[bis(prop-2-enyl)amino]propyl-(3-hydroxypropyl)amino]propan-1-ol (PubChem CID 88787077) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-[3-[bis(prop-2-enyl)amino]propyl-(3-hydroxypropyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[3-[bis(prop-2-enyl)amino]propyl-(3-hydroxypropyl)amino]propan-1-ol
PubChem CID88787077
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name3-[3-[bis(prop-2-enyl)amino]propyl-(3-hydroxypropyl)amino]propan-1-ol
SMILESC=CCN(CC=C)CCCN(CCCO)CCCO
InChIInChI=1S/C15H30N2O2/c1-3-8-16(9-4-2)10-5-11-17(12-6-14-18)13-7-15-19/h3-4,18-19H,1-2,5-15H2
InChIKeyPCLOCQKZBSJWCT-UHFFFAOYSA-N
XLogP1.12
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[3-[bis(prop-2-enyl)amino]propyl-(3-hydroxypropyl)amino]propan-1-ol?
The IUPAC name of 3-[3-[bis(prop-2-enyl)amino]propyl-(3-hydroxypropyl)amino]propan-1-ol (CID 88787077) is 3-[3-[bis(prop-2-enyl)amino]propyl-(3-hydroxypropyl)amino]propan-1-ol.
What is the SMILES notation for 3-[3-[bis(prop-2-enyl)amino]propyl-(3-hydroxypropyl)amino]propan-1-ol?
The canonical SMILES for 3-[3-[bis(prop-2-enyl)amino]propyl-(3-hydroxypropyl)amino]propan-1-ol is C=CCN(CC=C)CCCN(CCCO)CCCO.
What is the InChIKey of 3-[3-[bis(prop-2-enyl)amino]propyl-(3-hydroxypropyl)amino]propan-1-ol?
The InChIKey is PCLOCQKZBSJWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-3-8-16(9-4-2)10-5-11-17(12-6-14-18)13-7-15-19/h3-4,18-19H,1-2,5-15H2.
What are the key properties of 3-[3-[bis(prop-2-enyl)amino]propyl-(3-hydroxypropyl)amino]propan-1-ol?
3-[3-[bis(prop-2-enyl)amino]propyl-(3-hydroxypropyl)amino]propan-1-ol has a molecular weight of 270.42 g/mol, XLogP of 1.12, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[bis(prop-2-enyl)amino]propyl-(3-hydroxypropyl)amino]propan-1-ol is sourced from PubChem (CID 88787077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).