5-[2-(methylamino)ethyl]cyclohepta-1,4,6-trien-1-ol

C10H15NO — CID 142123446

IUPAC5-[2-(methylamino)ethyl]cyclohepta-1,4,6-trien-1-ol
SMILESCNCCC1=CCC=C(O)C=C1
InChIInChI=1S/C10H15NO/c1-11-8-7-9-3-2-4-10(12)6-5-9/h3-6,11-12H,2,7-8H2,1H3
InChIKeyRWBCWSIVTSVOAR-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.92
Rot. Bonds3

About 5-[2-(methylamino)ethyl]cyclohepta-1,4,6-trien-1-ol

5-[2-(methylamino)ethyl]cyclohepta-1,4,6-trien-1-ol (PubChem CID 142123446) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 5-[2-(methylamino)ethyl]cyclohepta-1,4,6-trien-1-ol.

Molecular Properties

Compound Name5-[2-(methylamino)ethyl]cyclohepta-1,4,6-trien-1-ol
PubChem CID142123446
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name5-[2-(methylamino)ethyl]cyclohepta-1,4,6-trien-1-ol
SMILESCNCCC1=CCC=C(O)C=C1
InChIInChI=1S/C10H15NO/c1-11-8-7-9-3-2-4-10(12)6-5-9/h3-6,11-12H,2,7-8H2,1H3
InChIKeyRWBCWSIVTSVOAR-UHFFFAOYSA-N
XLogP1.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol
CID 143933261
5-Hydroxycyclohepta[1,2-c]pyridine
CID 21276159
2H-2-benzazepin-4-ol
CID 87766208
(3E,5E)-8-amino-6-methylocta-1,3,5-trien-3-ol
CID 89381343
(3Z,5E)-8-amino-6-methylocta-1,3,5-triene-3,4-diol
CID 89679060
(1E,3Z)-4-[2-(methylamino)ethyl]hexa-1,3,5-trien-1-ol
CID 90444788
(2E,4E,6Z)-1-(propan-2-ylamino)-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-ol
CID 126583250
(2Z,4Z)-6-methyl-5-[2-(methylamino)ethyl]hepta-2,4,6-triene-2,3-diol
CID 126729831
(3Z,5Z)-5-[2-(methylamino)ethyl]octa-1,3,5-trien-2-ol
CID 130243944
(3Z,5E)-6-methyl-8-(methylamino)octa-3,5-dien-1-yne-3,4-diol
CID 131990761
(2E,4E,6E)-2-methyl-1-(methylamino)nona-2,4,6-trien-4-ol
CID 132044721
(1E)-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dien-1-ol
CID 138482575

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylamino)ethyl]cyclohepta-1,4,6-trien-1-ol?
The IUPAC name of 5-[2-(methylamino)ethyl]cyclohepta-1,4,6-trien-1-ol (CID 142123446) is 5-[2-(methylamino)ethyl]cyclohepta-1,4,6-trien-1-ol.
What is the SMILES notation for 5-[2-(methylamino)ethyl]cyclohepta-1,4,6-trien-1-ol?
The canonical SMILES for 5-[2-(methylamino)ethyl]cyclohepta-1,4,6-trien-1-ol is CNCCC1=CCC=C(O)C=C1.
What is the InChIKey of 5-[2-(methylamino)ethyl]cyclohepta-1,4,6-trien-1-ol?
The InChIKey is RWBCWSIVTSVOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-11-8-7-9-3-2-4-10(12)6-5-9/h3-6,11-12H,2,7-8H2,1H3.
What are the key properties of 5-[2-(methylamino)ethyl]cyclohepta-1,4,6-trien-1-ol?
5-[2-(methylamino)ethyl]cyclohepta-1,4,6-trien-1-ol has a molecular weight of 165.24 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylamino)ethyl]cyclohepta-1,4,6-trien-1-ol is sourced from PubChem (CID 142123446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).