2-[(6-amino-1,4-diethylcyclohexa-2,4-dien-1-yl)-(2-hydroxyethyl)amino]ethanol

C14H26N2O2 — CID 140999885

IUPAC2-[(6-amino-1,4-diethylcyclohexa-2,4-dien-1-yl)-(2-hydroxyethyl)amino]ethanol
SMILESCCC1=CC(N)C(CC)(N(CCO)CCO)C=C1
InChIInChI=1S/C14H26N2O2/c1-3-12-5-6-14(4-2,13(15)11-12)16(7-9-17)8-10-18/h5-6,11,13,17-18H,3-4,7-10,15H2,1-2H3
InChIKeyBYBSZAQVYKWFGG-UHFFFAOYSA-N
MW254.37 g/mol
LogP0.66
Rot. Bonds7

About 2-[(6-amino-1,4-diethylcyclohexa-2,4-dien-1-yl)-(2-hydroxyethyl)amino]ethanol

2-[(6-amino-1,4-diethylcyclohexa-2,4-dien-1-yl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 140999885) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-[(6-amino-1,4-diethylcyclohexa-2,4-dien-1-yl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-amino-1,4-diethylcyclohexa-2,4-dien-1-yl)-(2-hydroxyethyl)amino]ethanol
PubChem CID140999885
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-[(6-amino-1,4-diethylcyclohexa-2,4-dien-1-yl)-(2-hydroxyethyl)amino]ethanol
SMILESCCC1=CC(N)C(CC)(N(CCO)CCO)C=C1
InChIInChI=1S/C14H26N2O2/c1-3-12-5-6-14(4-2,13(15)11-12)16(7-9-17)8-10-18/h5-6,11,13,17-18H,3-4,7-10,15H2,1-2H3
InChIKeyBYBSZAQVYKWFGG-UHFFFAOYSA-N
XLogP0.66
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1,4-diethylcyclohexa-2,4-dien-1-yl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(6-amino-1,4-diethylcyclohexa-2,4-dien-1-yl)-(2-hydroxyethyl)amino]ethanol (CID 140999885) is 2-[(6-amino-1,4-diethylcyclohexa-2,4-dien-1-yl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(6-amino-1,4-diethylcyclohexa-2,4-dien-1-yl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(6-amino-1,4-diethylcyclohexa-2,4-dien-1-yl)-(2-hydroxyethyl)amino]ethanol is CCC1=CC(N)C(CC)(N(CCO)CCO)C=C1.
What is the InChIKey of 2-[(6-amino-1,4-diethylcyclohexa-2,4-dien-1-yl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is BYBSZAQVYKWFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-12-5-6-14(4-2,13(15)11-12)16(7-9-17)8-10-18/h5-6,11,13,17-18H,3-4,7-10,15H2,1-2H3.
What are the key properties of 2-[(6-amino-1,4-diethylcyclohexa-2,4-dien-1-yl)-(2-hydroxyethyl)amino]ethanol?
2-[(6-amino-1,4-diethylcyclohexa-2,4-dien-1-yl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 254.37 g/mol, XLogP of 0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1,4-diethylcyclohexa-2,4-dien-1-yl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 140999885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).