1-(4-methyl-2-propan-2-ylcyclobuten-1-yl)ethanamine

C10H19N — CID 170000423

IUPAC1-(4-methyl-2-propan-2-ylcyclobuten-1-yl)ethanamine
SMILESCC(C)C1=C(C(C)N)C(C)C1
InChIInChI=1S/C10H19N/c1-6(2)9-5-7(3)10(9)8(4)11/h6-8H,5,11H2,1-4H3
InChIKeySIYZUMZHUAUVLA-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.33
Rot. Bonds2

About 1-(4-methyl-2-propan-2-ylcyclobuten-1-yl)ethanamine

1-(4-methyl-2-propan-2-ylcyclobuten-1-yl)ethanamine (PubChem CID 170000423) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 1-(4-methyl-2-propan-2-ylcyclobuten-1-yl)ethanamine.

Molecular Properties

Compound Name1-(4-methyl-2-propan-2-ylcyclobuten-1-yl)ethanamine
PubChem CID170000423
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name1-(4-methyl-2-propan-2-ylcyclobuten-1-yl)ethanamine
SMILESCC(C)C1=C(C(C)N)C(C)C1
InChIInChI=1S/C10H19N/c1-6(2)9-5-7(3)10(9)8(4)11/h6-8H,5,11H2,1-4H3
InChIKeySIYZUMZHUAUVLA-UHFFFAOYSA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-propan-2-ylcyclobuten-1-yl)ethanamine?
The IUPAC name of 1-(4-methyl-2-propan-2-ylcyclobuten-1-yl)ethanamine (CID 170000423) is 1-(4-methyl-2-propan-2-ylcyclobuten-1-yl)ethanamine.
What is the SMILES notation for 1-(4-methyl-2-propan-2-ylcyclobuten-1-yl)ethanamine?
The canonical SMILES for 1-(4-methyl-2-propan-2-ylcyclobuten-1-yl)ethanamine is CC(C)C1=C(C(C)N)C(C)C1.
What is the InChIKey of 1-(4-methyl-2-propan-2-ylcyclobuten-1-yl)ethanamine?
The InChIKey is SIYZUMZHUAUVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-6(2)9-5-7(3)10(9)8(4)11/h6-8H,5,11H2,1-4H3.
What are the key properties of 1-(4-methyl-2-propan-2-ylcyclobuten-1-yl)ethanamine?
1-(4-methyl-2-propan-2-ylcyclobuten-1-yl)ethanamine has a molecular weight of 153.27 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-propan-2-ylcyclobuten-1-yl)ethanamine is sourced from PubChem (CID 170000423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).