2-(ethylamino)cyclohepta-1,3,6-trien-1-ol

C9H13NO — CID 143176336

IUPAC2-(ethylamino)cyclohepta-1,3,6-trien-1-ol
SMILESCCNC1=C(O)C=CCC=C1
InChIInChI=1S/C9H13NO/c1-2-10-8-6-4-3-5-7-9(8)11/h4-7,10-11H,2-3H2,1H3
InChIKeyWKGHCLWYFUBKAO-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.88
Rot. Bonds2

About 2-(ethylamino)cyclohepta-1,3,6-trien-1-ol

2-(ethylamino)cyclohepta-1,3,6-trien-1-ol (PubChem CID 143176336) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-(ethylamino)cyclohepta-1,3,6-trien-1-ol.

Molecular Properties

Compound Name2-(ethylamino)cyclohepta-1,3,6-trien-1-ol
PubChem CID143176336
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-(ethylamino)cyclohepta-1,3,6-trien-1-ol
SMILESCCNC1=C(O)C=CCC=C1
InChIInChI=1S/C9H13NO/c1-2-10-8-6-4-3-5-7-9(8)11/h4-7,10-11H,2-3H2,1H3
InChIKeyWKGHCLWYFUBKAO-UHFFFAOYSA-N
XLogP1.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3Z)-5-(ethylamino)-2-fluorohexa-3,5-dien-2-ol
CID 163836576
5-Fluoro-5-methyl-3-(propan-2-ylamino)cyclohepta-1,3,6-trien-1-ol
CID 168199361
6-Methyl-1,2-dihydropyridin-5-ol
CID 68023623
2-Methyl-1,2-dihydropyridin-5-ol
CID 86340255
2,6-Dimethyl-1,2-dihydropyridin-4-ol
CID 118457583
(2E,4E,6Z)-1-(propan-2-ylamino)-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-ol
CID 126583250
(3E)-4-(ethenylamino)hexa-1,3-dien-2-ol
CID 139480973
2,7-dihydro-1H-cyclohepta[b]pyridin-9-ol
CID 141339996
cyclohepta-1,3,6-trien-1-ol;N-methylpropan-1-amine
CID 142206809
(2Z,4E,6E,8R)-8-(ethylamino)-7-methylnona-2,4,6-trien-4-ol
CID 142924430
(3Z)-2-methyl-4-(methylamino)hexa-1,3,5-trien-3-ol
CID 142999523
(2Z)-2-(ethylamino)octa-2,5,7-trien-3-ol
CID 143284640

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)cyclohepta-1,3,6-trien-1-ol?
The IUPAC name of 2-(ethylamino)cyclohepta-1,3,6-trien-1-ol (CID 143176336) is 2-(ethylamino)cyclohepta-1,3,6-trien-1-ol.
What is the SMILES notation for 2-(ethylamino)cyclohepta-1,3,6-trien-1-ol?
The canonical SMILES for 2-(ethylamino)cyclohepta-1,3,6-trien-1-ol is CCNC1=C(O)C=CCC=C1.
What is the InChIKey of 2-(ethylamino)cyclohepta-1,3,6-trien-1-ol?
The InChIKey is WKGHCLWYFUBKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-10-8-6-4-3-5-7-9(8)11/h4-7,10-11H,2-3H2,1H3.
What are the key properties of 2-(ethylamino)cyclohepta-1,3,6-trien-1-ol?
2-(ethylamino)cyclohepta-1,3,6-trien-1-ol has a molecular weight of 151.21 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)cyclohepta-1,3,6-trien-1-ol is sourced from PubChem (CID 143176336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).