2-[2,2-bis(prop-2-enylamino)ethyl-methylamino]ethanol

C11H23N3O — CID 87572087

IUPAC2-[2,2-bis(prop-2-enylamino)ethyl-methylamino]ethanol
SMILESC=CCNC(CN(C)CCO)NCC=C
InChIInChI=1S/C11H23N3O/c1-4-6-12-11(13-7-5-2)10-14(3)8-9-15/h4-5,11-13,15H,1-2,6-10H2,3H3
InChIKeyKMOBEDBIATWQGQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP-0.21
Rot. Bonds10

About 2-[2,2-bis(prop-2-enylamino)ethyl-methylamino]ethanol

2-[2,2-bis(prop-2-enylamino)ethyl-methylamino]ethanol (PubChem CID 87572087) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[2,2-bis(prop-2-enylamino)ethyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[2,2-bis(prop-2-enylamino)ethyl-methylamino]ethanol
PubChem CID87572087
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-[2,2-bis(prop-2-enylamino)ethyl-methylamino]ethanol
SMILESC=CCNC(CN(C)CCO)NCC=C
InChIInChI=1S/C11H23N3O/c1-4-6-12-11(13-7-5-2)10-14(3)8-9-15/h4-5,11-13,15H,1-2,6-10H2,3H3
InChIKeyKMOBEDBIATWQGQ-UHFFFAOYSA-N
XLogP-0.21
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-bis(prop-2-enylamino)ethyl-methylamino]ethanol?
The IUPAC name of 2-[2,2-bis(prop-2-enylamino)ethyl-methylamino]ethanol (CID 87572087) is 2-[2,2-bis(prop-2-enylamino)ethyl-methylamino]ethanol.
What is the SMILES notation for 2-[2,2-bis(prop-2-enylamino)ethyl-methylamino]ethanol?
The canonical SMILES for 2-[2,2-bis(prop-2-enylamino)ethyl-methylamino]ethanol is C=CCNC(CN(C)CCO)NCC=C.
What is the InChIKey of 2-[2,2-bis(prop-2-enylamino)ethyl-methylamino]ethanol?
The InChIKey is KMOBEDBIATWQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-6-12-11(13-7-5-2)10-14(3)8-9-15/h4-5,11-13,15H,1-2,6-10H2,3H3.
What are the key properties of 2-[2,2-bis(prop-2-enylamino)ethyl-methylamino]ethanol?
2-[2,2-bis(prop-2-enylamino)ethyl-methylamino]ethanol has a molecular weight of 213.32 g/mol, XLogP of -0.21, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis(prop-2-enylamino)ethyl-methylamino]ethanol is sourced from PubChem (CID 87572087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).