(4E)-4-[1-(methylamino)ethylidene]cyclohexa-1,5-dien-1-amine

C9H14N2 — CID 134382679

IUPAC(4E)-4-[1-(methylamino)ethylidene]cyclohexa-1,5-dien-1-amine
SMILESCN/C(C)=C1/C=CC(N)=CC1
InChIInChI=1S/C9H14N2/c1-7(11-2)8-3-5-9(10)6-4-8/h3,5-6,11H,4,10H2,1-2H3/b8-7-
InChIKeyAEDZOMUVRNHXJM-FPLPWBNLSA-N
MW150.22 g/mol
LogP1.28
Rot. Bonds1

About (4E)-4-[1-(methylamino)ethylidene]cyclohexa-1,5-dien-1-amine

(4E)-4-[1-(methylamino)ethylidene]cyclohexa-1,5-dien-1-amine (PubChem CID 134382679) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (4E)-4-[1-(methylamino)ethylidene]cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name(4E)-4-[1-(methylamino)ethylidene]cyclohexa-1,5-dien-1-amine
PubChem CID134382679
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(4E)-4-[1-(methylamino)ethylidene]cyclohexa-1,5-dien-1-amine
SMILESCN/C(C)=C1/C=CC(N)=CC1
InChIInChI=1S/C9H14N2/c1-7(11-2)8-3-5-9(10)6-4-8/h3,5-6,11H,4,10H2,1-2H3/b8-7-
InChIKeyAEDZOMUVRNHXJM-FPLPWBNLSA-N
XLogP1.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-[1-(methylamino)ethylidene]cyclohexa-1,5-dien-1-amine?
The IUPAC name of (4E)-4-[1-(methylamino)ethylidene]cyclohexa-1,5-dien-1-amine (CID 134382679) is (4E)-4-[1-(methylamino)ethylidene]cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for (4E)-4-[1-(methylamino)ethylidene]cyclohexa-1,5-dien-1-amine?
The canonical SMILES for (4E)-4-[1-(methylamino)ethylidene]cyclohexa-1,5-dien-1-amine is CN/C(C)=C1/C=CC(N)=CC1.
What is the InChIKey of (4E)-4-[1-(methylamino)ethylidene]cyclohexa-1,5-dien-1-amine?
The InChIKey is AEDZOMUVRNHXJM-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H14N2/c1-7(11-2)8-3-5-9(10)6-4-8/h3,5-6,11H,4,10H2,1-2H3/b8-7-.
What are the key properties of (4E)-4-[1-(methylamino)ethylidene]cyclohexa-1,5-dien-1-amine?
(4E)-4-[1-(methylamino)ethylidene]cyclohexa-1,5-dien-1-amine has a molecular weight of 150.22 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[1-(methylamino)ethylidene]cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 134382679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).