2-[ethyl-[2-[2-(ethylamino)cyclohexa-1,3-dien-1-yl]ethyl]amino]ethanol

C14H26N2O — CID 143063461

IUPAC2-[ethyl-[2-[2-(ethylamino)cyclohexa-1,3-dien-1-yl]ethyl]amino]ethanol
SMILESCCNC1=C(CCN(CC)CCO)CCC=C1
InChIInChI=1S/C14H26N2O/c1-3-15-14-8-6-5-7-13(14)9-10-16(4-2)11-12-17/h6,8,15,17H,3-5,7,9-12H2,1-2H3
InChIKeyNXZMHRNLXHTZRQ-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.90
Rot. Bonds8

About 2-[ethyl-[2-[2-(ethylamino)cyclohexa-1,3-dien-1-yl]ethyl]amino]ethanol

2-[ethyl-[2-[2-(ethylamino)cyclohexa-1,3-dien-1-yl]ethyl]amino]ethanol (PubChem CID 143063461) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[ethyl-[2-[2-(ethylamino)cyclohexa-1,3-dien-1-yl]ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[2-[2-(ethylamino)cyclohexa-1,3-dien-1-yl]ethyl]amino]ethanol
PubChem CID143063461
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-[ethyl-[2-[2-(ethylamino)cyclohexa-1,3-dien-1-yl]ethyl]amino]ethanol
SMILESCCNC1=C(CCN(CC)CCO)CCC=C1
InChIInChI=1S/C14H26N2O/c1-3-15-14-8-6-5-7-13(14)9-10-16(4-2)11-12-17/h6,8,15,17H,3-5,7,9-12H2,1-2H3
InChIKeyNXZMHRNLXHTZRQ-UHFFFAOYSA-N
XLogP1.90
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3,4,8-Tetrahydropyrido[3,4-b]azepin-1-yl)ethanol
CID 70003975
2-[(4-Amino-4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)amino]ethanol
CID 70445416
2-[(4-Amino-1-ethylcyclohexa-2,4-dien-1-yl)amino]ethanol
CID 70455378
[[(2Z,4E)-4-(2,3,4,5-tetrahydroindol-1-yl)hepta-2,4,6-trienyl]amino]methanol
CID 89153827
2-[[(4Z)-6-(methylamino)-3-methylidenehepta-1,4,6-trien-2-yl]amino]ethanol
CID 117614804
1-Amino-3-(6-methyl-1,3,4,5-tetrahydrocyclohepta[c]pyridin-2-yl)propan-2-ol
CID 139297407
2-[(1,4-Diamino-5-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol
CID 141575008
N-(2-methoxyethyl)-N,4-dimethyl-2-(methylaminomethyl)cyclohexa-1,3-dien-1-amine
CID 142350896
N-ethyl-2-[3-[ethyl(2-methoxyethyl)amino]propyl]cyclohepta-1,4,6-trien-1-amine
CID 143063234
2-[Ethyl-[2-[2-(ethylamino)cyclohepta-1,4,6-trien-1-yl]ethyl]amino]ethanol
CID 143063302
1-[[4-[(Z)-1,3-diaminoprop-1-enyl]cyclohex-3-en-1-yl]amino]ethanol
CID 143520858
1-[[4-(Aminomethyl)cyclohexa-1,3-dien-1-yl]methylamino]ethanol
CID 144101696

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-[2-(ethylamino)cyclohexa-1,3-dien-1-yl]ethyl]amino]ethanol?
The IUPAC name of 2-[ethyl-[2-[2-(ethylamino)cyclohexa-1,3-dien-1-yl]ethyl]amino]ethanol (CID 143063461) is 2-[ethyl-[2-[2-(ethylamino)cyclohexa-1,3-dien-1-yl]ethyl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[2-[2-(ethylamino)cyclohexa-1,3-dien-1-yl]ethyl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[2-[2-(ethylamino)cyclohexa-1,3-dien-1-yl]ethyl]amino]ethanol is CCNC1=C(CCN(CC)CCO)CCC=C1.
What is the InChIKey of 2-[ethyl-[2-[2-(ethylamino)cyclohexa-1,3-dien-1-yl]ethyl]amino]ethanol?
The InChIKey is NXZMHRNLXHTZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-15-14-8-6-5-7-13(14)9-10-16(4-2)11-12-17/h6,8,15,17H,3-5,7,9-12H2,1-2H3.
What are the key properties of 2-[ethyl-[2-[2-(ethylamino)cyclohexa-1,3-dien-1-yl]ethyl]amino]ethanol?
2-[ethyl-[2-[2-(ethylamino)cyclohexa-1,3-dien-1-yl]ethyl]amino]ethanol has a molecular weight of 238.37 g/mol, XLogP of 1.90, 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)cyclohexa-1,3-dien-1-yl]ethyl]amino]ethanol is sourced from PubChem (CID 143063461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).