1-[2-(dimethylamino)ethyl]cyclohexa-2,4-diene-1-carboxamide

C11H18N2O — CID 70509598

IUPAC1-[2-(dimethylamino)ethyl]cyclohexa-2,4-diene-1-carboxamide
SMILESCN(C)CCC1(C(N)=O)C=CC=CC1
InChIInChI=1S/C11H18N2O/c1-13(2)9-8-11(10(12)14)6-4-3-5-7-11/h3-6H,7-9H2,1-2H3,(H2,12,14)
InChIKeyCIIISUALKUTQON-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.93
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]cyclohexa-2,4-diene-1-carboxamide

1-[2-(dimethylamino)ethyl]cyclohexa-2,4-diene-1-carboxamide (PubChem CID 70509598) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]cyclohexa-2,4-diene-1-carboxamide
PubChem CID70509598
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-[2-(dimethylamino)ethyl]cyclohexa-2,4-diene-1-carboxamide
SMILESCN(C)CCC1(C(N)=O)C=CC=CC1
InChIInChI=1S/C11H18N2O/c1-13(2)9-8-11(10(12)14)6-4-3-5-7-11/h3-6H,7-9H2,1-2H3,(H2,12,14)
InChIKeyCIIISUALKUTQON-UHFFFAOYSA-N
XLogP0.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Amino-1-[2-(dimethylamino)ethyl]cyclohexa-2,4-diene-1-carboxamide
CID 23324080
1-(2-Piperidin-1-ylethyl)cyclohexa-2,4-diene-1-carboxamide
CID 70509241
1-[3-(Dimethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide
CID 70509937
1-[3-(Diethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide
CID 70510497
1-methyl-4-[(2E)-penta-2,4-dien-2-yl]piperidine-4-carboxamide
CID 89671314
4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine-4-carboxamide
CID 144635944
4-(Cyclooctatetraenyl)-1-propylpiperidine-4-carboxamide
CID 177188800

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)ethyl]cyclohexa-2,4-diene-1-carboxamide (CID 70509598) is 1-[2-(dimethylamino)ethyl]cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]cyclohexa-2,4-diene-1-carboxamide is CN(C)CCC1(C(N)=O)C=CC=CC1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is CIIISUALKUTQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-13(2)9-8-11(10(12)14)6-4-3-5-7-11/h3-6H,7-9H2,1-2H3,(H2,12,14).
What are the key properties of 1-[2-(dimethylamino)ethyl]cyclohexa-2,4-diene-1-carboxamide?
1-[2-(dimethylamino)ethyl]cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 194.28 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 70509598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).