2,2-bis[(prop-2-enylamino)methyl]propane-1,3-diol

C11H22N2O2 — CID 20603635

IUPAC2,2-bis[(prop-2-enylamino)methyl]propane-1,3-diol
SMILESC=CCNCC(CO)(CO)CNCC=C
InChIInChI=1S/C11H22N2O2/c1-3-5-12-7-11(9-14,10-15)8-13-6-4-2/h3-4,12-15H,1-2,5-10H2
InChIKeyAQEMSAXWDVVZBF-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.49
Rot. Bonds10

About 2,2-bis[(prop-2-enylamino)methyl]propane-1,3-diol

2,2-bis[(prop-2-enylamino)methyl]propane-1,3-diol (PubChem CID 20603635) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2,2-bis[(prop-2-enylamino)methyl]propane-1,3-diol.

Molecular Properties

Compound Name2,2-bis[(prop-2-enylamino)methyl]propane-1,3-diol
PubChem CID20603635
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2,2-bis[(prop-2-enylamino)methyl]propane-1,3-diol
SMILESC=CCNCC(CO)(CO)CNCC=C
InChIInChI=1S/C11H22N2O2/c1-3-5-12-7-11(9-14,10-15)8-13-6-4-2/h3-4,12-15H,1-2,5-10H2
InChIKeyAQEMSAXWDVVZBF-UHFFFAOYSA-N
XLogP-0.49
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis[(prop-2-enylamino)methyl]propane-1,3-diol?
The IUPAC name of 2,2-bis[(prop-2-enylamino)methyl]propane-1,3-diol (CID 20603635) is 2,2-bis[(prop-2-enylamino)methyl]propane-1,3-diol.
What is the SMILES notation for 2,2-bis[(prop-2-enylamino)methyl]propane-1,3-diol?
The canonical SMILES for 2,2-bis[(prop-2-enylamino)methyl]propane-1,3-diol is C=CCNCC(CO)(CO)CNCC=C.
What is the InChIKey of 2,2-bis[(prop-2-enylamino)methyl]propane-1,3-diol?
The InChIKey is AQEMSAXWDVVZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-5-12-7-11(9-14,10-15)8-13-6-4-2/h3-4,12-15H,1-2,5-10H2.
What are the key properties of 2,2-bis[(prop-2-enylamino)methyl]propane-1,3-diol?
2,2-bis[(prop-2-enylamino)methyl]propane-1,3-diol has a molecular weight of 214.31 g/mol, XLogP of -0.49, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[(prop-2-enylamino)methyl]propane-1,3-diol is sourced from PubChem (CID 20603635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).