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

C11H19N3O — CID 23324080

IUPAC6-amino-1-[2-(dimethylamino)ethyl]cyclohexa-2,4-diene-1-carboxamide
SMILESCN(C)CCC1(C(N)=O)C=CC=CC1N
InChIInChI=1S/C11H19N3O/c1-14(2)8-7-11(10(13)15)6-4-3-5-9(11)12/h3-6,9H,7-8,12H2,1-2H3,(H2,13,15)
InChIKeyDSPRNHAMEOPMLF-UHFFFAOYSA-N
MW209.29 g/mol
LogP-0.14
Rot. Bonds4

About 6-amino-1-[2-(dimethylamino)ethyl]cyclohexa-2,4-diene-1-carboxamide

6-amino-1-[2-(dimethylamino)ethyl]cyclohexa-2,4-diene-1-carboxamide (PubChem CID 23324080) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 6-amino-1-[2-(dimethylamino)ethyl]cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-amino-1-[2-(dimethylamino)ethyl]cyclohexa-2,4-diene-1-carboxamide
PubChem CID23324080
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name6-amino-1-[2-(dimethylamino)ethyl]cyclohexa-2,4-diene-1-carboxamide
SMILESCN(C)CCC1(C(N)=O)C=CC=CC1N
InChIInChI=1S/C11H19N3O/c1-14(2)8-7-11(10(13)15)6-4-3-5-9(11)12/h3-6,9H,7-8,12H2,1-2H3,(H2,13,15)
InChIKeyDSPRNHAMEOPMLF-UHFFFAOYSA-N
XLogP-0.14
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[2-(dimethylamino)ethyl]cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-amino-1-[2-(dimethylamino)ethyl]cyclohexa-2,4-diene-1-carboxamide (CID 23324080) is 6-amino-1-[2-(dimethylamino)ethyl]cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-amino-1-[2-(dimethylamino)ethyl]cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-amino-1-[2-(dimethylamino)ethyl]cyclohexa-2,4-diene-1-carboxamide is CN(C)CCC1(C(N)=O)C=CC=CC1N.
What is the InChIKey of 6-amino-1-[2-(dimethylamino)ethyl]cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is DSPRNHAMEOPMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-14(2)8-7-11(10(13)15)6-4-3-5-9(11)12/h3-6,9H,7-8,12H2,1-2H3,(H2,13,15).
What are the key properties of 6-amino-1-[2-(dimethylamino)ethyl]cyclohexa-2,4-diene-1-carboxamide?
6-amino-1-[2-(dimethylamino)ethyl]cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 209.29 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[2-(dimethylamino)ethyl]cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 23324080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).