6-(ethylamino)-6-methylcyclohexa-1,3-dien-1-ol

C9H15NO — CID 139892088

IUPAC6-(ethylamino)-6-methylcyclohexa-1,3-dien-1-ol
SMILESCCNC1(C)CC=CC=C1O
InChIInChI=1S/C9H15NO/c1-3-10-9(2)7-5-4-6-8(9)11/h4-6,10-11H,3,7H2,1-2H3
InChIKeyNARBKTFCIHDPLU-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.76
Rot. Bonds2

About 6-(ethylamino)-6-methylcyclohexa-1,3-dien-1-ol

6-(ethylamino)-6-methylcyclohexa-1,3-dien-1-ol (PubChem CID 139892088) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 6-(ethylamino)-6-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6-(ethylamino)-6-methylcyclohexa-1,3-dien-1-ol
PubChem CID139892088
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name6-(ethylamino)-6-methylcyclohexa-1,3-dien-1-ol
SMILESCCNC1(C)CC=CC=C1O
InChIInChI=1S/C9H15NO/c1-3-10-9(2)7-5-4-6-8(9)11/h4-6,10-11H,3,7H2,1-2H3
InChIKeyNARBKTFCIHDPLU-UHFFFAOYSA-N
XLogP1.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-6-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 6-(ethylamino)-6-methylcyclohexa-1,3-dien-1-ol (CID 139892088) is 6-(ethylamino)-6-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6-(ethylamino)-6-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6-(ethylamino)-6-methylcyclohexa-1,3-dien-1-ol is CCNC1(C)CC=CC=C1O.
What is the InChIKey of 6-(ethylamino)-6-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is NARBKTFCIHDPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-10-9(2)7-5-4-6-8(9)11/h4-6,10-11H,3,7H2,1-2H3.
What are the key properties of 6-(ethylamino)-6-methylcyclohexa-1,3-dien-1-ol?
6-(ethylamino)-6-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 153.22 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-6-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 139892088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).