2-[ethyl-[2-[2-(ethylamino)cyclohepta-1,4,6-trien-1-yl]ethyl]amino]ethanol

C15H26N2O — CID 143063302

IUPAC2-[ethyl-[2-[2-(ethylamino)cyclohepta-1,4,6-trien-1-yl]ethyl]amino]ethanol
SMILESCCNC1=C(CCN(CC)CCO)C=CC=CC1
InChIInChI=1S/C15H26N2O/c1-3-16-15-9-7-5-6-8-14(15)10-11-17(4-2)12-13-18/h5-8,16,18H,3-4,9-13H2,1-2H3
InChIKeyLQCWZVWWSPYKSM-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.07
Rot. Bonds8

About 2-[ethyl-[2-[2-(ethylamino)cyclohepta-1,4,6-trien-1-yl]ethyl]amino]ethanol

2-[ethyl-[2-[2-(ethylamino)cyclohepta-1,4,6-trien-1-yl]ethyl]amino]ethanol (PubChem CID 143063302) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[ethyl-[2-[2-(ethylamino)cyclohepta-1,4,6-trien-1-yl]ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[2-[2-(ethylamino)cyclohepta-1,4,6-trien-1-yl]ethyl]amino]ethanol
PubChem CID143063302
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[ethyl-[2-[2-(ethylamino)cyclohepta-1,4,6-trien-1-yl]ethyl]amino]ethanol
SMILESCCNC1=C(CCN(CC)CCO)C=CC=CC1
InChIInChI=1S/C15H26N2O/c1-3-16-15-9-7-5-6-8-14(15)10-11-17(4-2)12-13-18/h5-8,16,18H,3-4,9-13H2,1-2H3
InChIKeyLQCWZVWWSPYKSM-UHFFFAOYSA-N
XLogP2.07
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-[2-(ethylamino)cyclohepta-1,4,6-trien-1-yl]ethyl]amino]ethanol?
The IUPAC name of 2-[ethyl-[2-[2-(ethylamino)cyclohepta-1,4,6-trien-1-yl]ethyl]amino]ethanol (CID 143063302) is 2-[ethyl-[2-[2-(ethylamino)cyclohepta-1,4,6-trien-1-yl]ethyl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[2-[2-(ethylamino)cyclohepta-1,4,6-trien-1-yl]ethyl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[2-[2-(ethylamino)cyclohepta-1,4,6-trien-1-yl]ethyl]amino]ethanol is CCNC1=C(CCN(CC)CCO)C=CC=CC1.
What is the InChIKey of 2-[ethyl-[2-[2-(ethylamino)cyclohepta-1,4,6-trien-1-yl]ethyl]amino]ethanol?
The InChIKey is LQCWZVWWSPYKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-16-15-9-7-5-6-8-14(15)10-11-17(4-2)12-13-18/h5-8,16,18H,3-4,9-13H2,1-2H3.
What are the key properties of 2-[ethyl-[2-[2-(ethylamino)cyclohepta-1,4,6-trien-1-yl]ethyl]amino]ethanol?
2-[ethyl-[2-[2-(ethylamino)cyclohepta-1,4,6-trien-1-yl]ethyl]amino]ethanol has a molecular weight of 250.39 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-[2-(ethylamino)cyclohepta-1,4,6-trien-1-yl]ethyl]amino]ethanol is sourced from PubChem (CID 143063302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).