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

C9H17NO — CID 22461492

IUPAC1-[bis(prop-2-enyl)amino]propan-2-ol
SMILESC=CCN(CC=C)CC(C)O
InChIInChI=1S/C9H17NO/c1-4-6-10(7-5-2)8-9(3)11/h4-5,9,11H,1-2,6-8H2,3H3
InChIKeyBLABOOCLGHYPFR-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.04
Rot. Bonds6

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

1-[bis(prop-2-enyl)amino]propan-2-ol (PubChem CID 22461492) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-[bis(prop-2-enyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[bis(prop-2-enyl)amino]propan-2-ol
PubChem CID22461492
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-[bis(prop-2-enyl)amino]propan-2-ol
SMILESC=CCN(CC=C)CC(C)O
InChIInChI=1S/C9H17NO/c1-4-6-10(7-5-2)8-9(3)11/h4-5,9,11H,1-2,6-8H2,3H3
InChIKeyBLABOOCLGHYPFR-UHFFFAOYSA-N
XLogP1.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[bis(prop-2-enyl)amino]propan-2-ol?
The IUPAC name of 1-[bis(prop-2-enyl)amino]propan-2-ol (CID 22461492) is 1-[bis(prop-2-enyl)amino]propan-2-ol.
What is the SMILES notation for 1-[bis(prop-2-enyl)amino]propan-2-ol?
The canonical SMILES for 1-[bis(prop-2-enyl)amino]propan-2-ol is C=CCN(CC=C)CC(C)O.
What is the InChIKey of 1-[bis(prop-2-enyl)amino]propan-2-ol?
The InChIKey is BLABOOCLGHYPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-6-10(7-5-2)8-9(3)11/h4-5,9,11H,1-2,6-8H2,3H3.
What are the key properties of 1-[bis(prop-2-enyl)amino]propan-2-ol?
1-[bis(prop-2-enyl)amino]propan-2-ol has a molecular weight of 155.24 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(prop-2-enyl)amino]propan-2-ol is sourced from PubChem (CID 22461492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).