4-(ethylamino)cyclohexa-1,3-diene-1-carboximidamide

C9H15N3 — CID 137002113

IUPAC4-(ethylamino)cyclohexa-1,3-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1=CC=C(NCC)CC1
InChIInChI=1S/C9H15N3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3,5,12H,2,4,6H2,1H3,(H3,10,11)
InChIKeyIIMSTDMRACEEEF-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.14
Rot. Bonds3

About 4-(ethylamino)cyclohexa-1,3-diene-1-carboximidamide

4-(ethylamino)cyclohexa-1,3-diene-1-carboximidamide (PubChem CID 137002113) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-(ethylamino)cyclohexa-1,3-diene-1-carboximidamide.

Molecular Properties

Compound Name4-(ethylamino)cyclohexa-1,3-diene-1-carboximidamide
PubChem CID137002113
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name4-(ethylamino)cyclohexa-1,3-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1=CC=C(NCC)CC1
InChIInChI=1S/C9H15N3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3,5,12H,2,4,6H2,1H3,(H3,10,11)
InChIKeyIIMSTDMRACEEEF-UHFFFAOYSA-N
XLogP1.14
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)cyclohexa-1,3-diene-1-carboximidamide?
The IUPAC name of 4-(ethylamino)cyclohexa-1,3-diene-1-carboximidamide (CID 137002113) is 4-(ethylamino)cyclohexa-1,3-diene-1-carboximidamide.
What is the SMILES notation for 4-(ethylamino)cyclohexa-1,3-diene-1-carboximidamide?
The canonical SMILES for 4-(ethylamino)cyclohexa-1,3-diene-1-carboximidamide is [H]/N=C(\N)C1=CC=C(NCC)CC1.
What is the InChIKey of 4-(ethylamino)cyclohexa-1,3-diene-1-carboximidamide?
The InChIKey is IIMSTDMRACEEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3,5,12H,2,4,6H2,1H3,(H3,10,11).
What are the key properties of 4-(ethylamino)cyclohexa-1,3-diene-1-carboximidamide?
4-(ethylamino)cyclohexa-1,3-diene-1-carboximidamide has a molecular weight of 165.24 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)cyclohexa-1,3-diene-1-carboximidamide is sourced from PubChem (CID 137002113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).