N-[(E)-cyclohexa-2,4-dien-1-ylideneamino]-2,4-dimethylazetidin-1-amine

C11H17N3 — CID 89384811

IUPACN-[(E)-cyclohexa-2,4-dien-1-ylideneamino]-2,4-dimethylazetidin-1-amine
SMILESCC1CC(C)N1N/N=C1/C=CC=CC1
InChIInChI=1S/C11H17N3/c1-9-8-10(2)14(9)13-12-11-6-4-3-5-7-11/h3-6,9-10,13H,7-8H2,1-2H3/b12-11-
InChIKeyHQAWQUCEGBRHJL-QXMHVHEDSA-N
MW191.28 g/mol
LogP1.85
Rot. Bonds2

About N-[(E)-cyclohexa-2,4-dien-1-ylideneamino]-2,4-dimethylazetidin-1-amine

N-[(E)-cyclohexa-2,4-dien-1-ylideneamino]-2,4-dimethylazetidin-1-amine (PubChem CID 89384811) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-[(E)-cyclohexa-2,4-dien-1-ylideneamino]-2,4-dimethylazetidin-1-amine.

Molecular Properties

Compound NameN-[(E)-cyclohexa-2,4-dien-1-ylideneamino]-2,4-dimethylazetidin-1-amine
PubChem CID89384811
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-[(E)-cyclohexa-2,4-dien-1-ylideneamino]-2,4-dimethylazetidin-1-amine
SMILESCC1CC(C)N1N/N=C1/C=CC=CC1
InChIInChI=1S/C11H17N3/c1-9-8-10(2)14(9)13-12-11-6-4-3-5-7-11/h3-6,9-10,13H,7-8H2,1-2H3/b12-11-
InChIKeyHQAWQUCEGBRHJL-QXMHVHEDSA-N
XLogP1.85
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-cyclohexa-2,4-dien-1-ylideneamino]-2,4-dimethylazetidin-1-amine?
The IUPAC name of N-[(E)-cyclohexa-2,4-dien-1-ylideneamino]-2,4-dimethylazetidin-1-amine (CID 89384811) is N-[(E)-cyclohexa-2,4-dien-1-ylideneamino]-2,4-dimethylazetidin-1-amine.
What is the SMILES notation for N-[(E)-cyclohexa-2,4-dien-1-ylideneamino]-2,4-dimethylazetidin-1-amine?
The canonical SMILES for N-[(E)-cyclohexa-2,4-dien-1-ylideneamino]-2,4-dimethylazetidin-1-amine is CC1CC(C)N1N/N=C1/C=CC=CC1.
What is the InChIKey of N-[(E)-cyclohexa-2,4-dien-1-ylideneamino]-2,4-dimethylazetidin-1-amine?
The InChIKey is HQAWQUCEGBRHJL-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H17N3/c1-9-8-10(2)14(9)13-12-11-6-4-3-5-7-11/h3-6,9-10,13H,7-8H2,1-2H3/b12-11-.
What are the key properties of N-[(E)-cyclohexa-2,4-dien-1-ylideneamino]-2,4-dimethylazetidin-1-amine?
N-[(E)-cyclohexa-2,4-dien-1-ylideneamino]-2,4-dimethylazetidin-1-amine has a molecular weight of 191.28 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-cyclohexa-2,4-dien-1-ylideneamino]-2,4-dimethylazetidin-1-amine is sourced from PubChem (CID 89384811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).