4-[2-(dimethylamino)ethyl]cyclohexa-2,4-dien-1-amine

C10H18N2 — CID 123955294

IUPAC4-[2-(dimethylamino)ethyl]cyclohexa-2,4-dien-1-amine
SMILESCN(C)CCC1=CCC(N)C=C1
InChIInChI=1S/C10H18N2/c1-12(2)8-7-9-3-5-10(11)6-4-9/h3-5,10H,6-8,11H2,1-2H3
InChIKeyFZYADUAMFMVGLL-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.15
Rot. Bonds3

About 4-[2-(dimethylamino)ethyl]cyclohexa-2,4-dien-1-amine

4-[2-(dimethylamino)ethyl]cyclohexa-2,4-dien-1-amine (PubChem CID 123955294) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]cyclohexa-2,4-dien-1-amine
PubChem CID123955294
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name4-[2-(dimethylamino)ethyl]cyclohexa-2,4-dien-1-amine
SMILESCN(C)CCC1=CCC(N)C=C1
InChIInChI=1S/C10H18N2/c1-12(2)8-7-9-3-5-10(11)6-4-9/h3-5,10H,6-8,11H2,1-2H3
InChIKeyFZYADUAMFMVGLL-UHFFFAOYSA-N
XLogP1.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]cyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-[2-(dimethylamino)ethyl]cyclohexa-2,4-dien-1-amine (CID 123955294) is 4-[2-(dimethylamino)ethyl]cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]cyclohexa-2,4-dien-1-amine is CN(C)CCC1=CCC(N)C=C1.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]cyclohexa-2,4-dien-1-amine?
The InChIKey is FZYADUAMFMVGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-12(2)8-7-9-3-5-10(11)6-4-9/h3-5,10H,6-8,11H2,1-2H3.
What are the key properties of 4-[2-(dimethylamino)ethyl]cyclohexa-2,4-dien-1-amine?
4-[2-(dimethylamino)ethyl]cyclohexa-2,4-dien-1-amine has a molecular weight of 166.27 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 123955294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).