2-[ethyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol

C11H24N2O — CID 103069509

IUPAC2-[ethyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol
SMILESC=C(CNC(C)C)CN(CC)CCO
InChIInChI=1S/C11H24N2O/c1-5-13(6-7-14)9-11(4)8-12-10(2)3/h10,12,14H,4-9H2,1-3H3
InChIKeyRGJJYHOPENRKJW-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.85
Rot. Bonds8

About 2-[ethyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol

2-[ethyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol (PubChem CID 103069509) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-[ethyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol
PubChem CID103069509
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2-[ethyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol
SMILESC=C(CNC(C)C)CN(CC)CCO
InChIInChI=1S/C11H24N2O/c1-5-13(6-7-14)9-11(4)8-12-10(2)3/h10,12,14H,4-9H2,1-3H3
InChIKeyRGJJYHOPENRKJW-UHFFFAOYSA-N
XLogP0.85
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
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 2-[ethyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol?
The IUPAC name of 2-[ethyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol (CID 103069509) is 2-[ethyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol is C=C(CNC(C)C)CN(CC)CCO.
What is the InChIKey of 2-[ethyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol?
The InChIKey is RGJJYHOPENRKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-5-13(6-7-14)9-11(4)8-12-10(2)3/h10,12,14H,4-9H2,1-3H3.
What are the key properties of 2-[ethyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol?
2-[ethyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol has a molecular weight of 200.33 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol is sourced from PubChem (CID 103069509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).