2-methanimidoyl-3,3,4,4-tetramethylcyclobuten-1-amine

C9H16N2 — CID 89326808

IUPAC2-methanimidoyl-3,3,4,4-tetramethylcyclobuten-1-amine
SMILES[H]/N=C/C1=C(N)C(C)(C)C1(C)C
InChIInChI=1S/C9H16N2/c1-8(2)6(5-10)7(11)9(8,3)4/h5,10H,11H2,1-4H3/b10-5+
InChIKeyMDLXPXBJEPAONG-BJMVGYQFSA-N
MW152.24 g/mol
LogP1.91
Rot. Bonds1

About 2-methanimidoyl-3,3,4,4-tetramethylcyclobuten-1-amine

2-methanimidoyl-3,3,4,4-tetramethylcyclobuten-1-amine (PubChem CID 89326808) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-methanimidoyl-3,3,4,4-tetramethylcyclobuten-1-amine.

Molecular Properties

Compound Name2-methanimidoyl-3,3,4,4-tetramethylcyclobuten-1-amine
PubChem CID89326808
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-methanimidoyl-3,3,4,4-tetramethylcyclobuten-1-amine
SMILES[H]/N=C/C1=C(N)C(C)(C)C1(C)C
InChIInChI=1S/C9H16N2/c1-8(2)6(5-10)7(11)9(8,3)4/h5,10H,11H2,1-4H3/b10-5+
InChIKeyMDLXPXBJEPAONG-BJMVGYQFSA-N
XLogP1.91
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-3,3,4,4-tetramethylcyclobuten-1-amine?
The IUPAC name of 2-methanimidoyl-3,3,4,4-tetramethylcyclobuten-1-amine (CID 89326808) is 2-methanimidoyl-3,3,4,4-tetramethylcyclobuten-1-amine.
What is the SMILES notation for 2-methanimidoyl-3,3,4,4-tetramethylcyclobuten-1-amine?
The canonical SMILES for 2-methanimidoyl-3,3,4,4-tetramethylcyclobuten-1-amine is [H]/N=C/C1=C(N)C(C)(C)C1(C)C.
What is the InChIKey of 2-methanimidoyl-3,3,4,4-tetramethylcyclobuten-1-amine?
The InChIKey is MDLXPXBJEPAONG-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(2)6(5-10)7(11)9(8,3)4/h5,10H,11H2,1-4H3/b10-5+.
What are the key properties of 2-methanimidoyl-3,3,4,4-tetramethylcyclobuten-1-amine?
2-methanimidoyl-3,3,4,4-tetramethylcyclobuten-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-3,3,4,4-tetramethylcyclobuten-1-amine is sourced from PubChem (CID 89326808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).