3-cyclobut-2-en-1-yl-3-imino-N-methyl-N-propan-2-ylpropan-1-amine

C11H20N2 — CID 130371633

IUPAC3-cyclobut-2-en-1-yl-3-imino-N-methyl-N-propan-2-ylpropan-1-amine
SMILES[H]/N=C(\CCN(C)C(C)C)C1C=CC1
InChIInChI=1S/C11H20N2/c1-9(2)13(3)8-7-11(12)10-5-4-6-10/h4-5,9-10,12H,6-8H2,1-3H3/b12-11+
InChIKeyFPFXGLJMCTVFPK-VAWYXSNFSA-N
MW180.29 g/mol
LogP2.31
Rot. Bonds5

About 3-cyclobut-2-en-1-yl-3-imino-N-methyl-N-propan-2-ylpropan-1-amine

3-cyclobut-2-en-1-yl-3-imino-N-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 130371633) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-cyclobut-2-en-1-yl-3-imino-N-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-cyclobut-2-en-1-yl-3-imino-N-methyl-N-propan-2-ylpropan-1-amine
PubChem CID130371633
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name3-cyclobut-2-en-1-yl-3-imino-N-methyl-N-propan-2-ylpropan-1-amine
SMILES[H]/N=C(\CCN(C)C(C)C)C1C=CC1
InChIInChI=1S/C11H20N2/c1-9(2)13(3)8-7-11(12)10-5-4-6-10/h4-5,9-10,12H,6-8H2,1-3H3/b12-11+
InChIKeyFPFXGLJMCTVFPK-VAWYXSNFSA-N
XLogP2.31
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobut-2-en-1-yl-3-imino-N-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-cyclobut-2-en-1-yl-3-imino-N-methyl-N-propan-2-ylpropan-1-amine (CID 130371633) is 3-cyclobut-2-en-1-yl-3-imino-N-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-cyclobut-2-en-1-yl-3-imino-N-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-cyclobut-2-en-1-yl-3-imino-N-methyl-N-propan-2-ylpropan-1-amine is [H]/N=C(\CCN(C)C(C)C)C1C=CC1.
What is the InChIKey of 3-cyclobut-2-en-1-yl-3-imino-N-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is FPFXGLJMCTVFPK-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H20N2/c1-9(2)13(3)8-7-11(12)10-5-4-6-10/h4-5,9-10,12H,6-8H2,1-3H3/b12-11+.
What are the key properties of 3-cyclobut-2-en-1-yl-3-imino-N-methyl-N-propan-2-ylpropan-1-amine?
3-cyclobut-2-en-1-yl-3-imino-N-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 180.29 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobut-2-en-1-yl-3-imino-N-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 130371633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).