3-[2-(methylamino)ethyl]cyclohexa-2,4-dien-1-amine

C9H16N2 — CID 144508094

IUPAC3-[2-(methylamino)ethyl]cyclohexa-2,4-dien-1-amine
SMILESCNCCC1=CC(N)CC=C1
InChIInChI=1S/C9H16N2/c1-11-6-5-8-3-2-4-9(10)7-8/h2-3,7,9,11H,4-6,10H2,1H3
InChIKeyIDYZRZAXUUIAAT-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.81
Rot. Bonds3

About 3-[2-(methylamino)ethyl]cyclohexa-2,4-dien-1-amine

3-[2-(methylamino)ethyl]cyclohexa-2,4-dien-1-amine (PubChem CID 144508094) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-[2-(methylamino)ethyl]cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name3-[2-(methylamino)ethyl]cyclohexa-2,4-dien-1-amine
PubChem CID144508094
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-[2-(methylamino)ethyl]cyclohexa-2,4-dien-1-amine
SMILESCNCCC1=CC(N)CC=C1
InChIInChI=1S/C9H16N2/c1-11-6-5-8-3-2-4-9(10)7-8/h2-3,7,9,11H,4-6,10H2,1H3
InChIKeyIDYZRZAXUUIAAT-UHFFFAOYSA-N
XLogP0.81
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)ethyl]cyclohexa-2,4-dien-1-amine?
The IUPAC name of 3-[2-(methylamino)ethyl]cyclohexa-2,4-dien-1-amine (CID 144508094) is 3-[2-(methylamino)ethyl]cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 3-[2-(methylamino)ethyl]cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 3-[2-(methylamino)ethyl]cyclohexa-2,4-dien-1-amine is CNCCC1=CC(N)CC=C1.
What is the InChIKey of 3-[2-(methylamino)ethyl]cyclohexa-2,4-dien-1-amine?
The InChIKey is IDYZRZAXUUIAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-11-6-5-8-3-2-4-9(10)7-8/h2-3,7,9,11H,4-6,10H2,1H3.
What are the key properties of 3-[2-(methylamino)ethyl]cyclohexa-2,4-dien-1-amine?
3-[2-(methylamino)ethyl]cyclohexa-2,4-dien-1-amine has a molecular weight of 152.24 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)ethyl]cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 144508094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).