2-(cyclobutylideneamino)ethanamine

C6H12N2 — CID 163651545

IUPAC2-(cyclobutylideneamino)ethanamine
SMILESNCCN=C1CCC1
InChIInChI=1S/C6H12N2/c7-4-5-8-6-2-1-3-6/h1-5,7H2
InChIKeyCXDJMZNYYKDRNC-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.57
Rot. Bonds2

About 2-(cyclobutylideneamino)ethanamine

2-(cyclobutylideneamino)ethanamine (PubChem CID 163651545) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2-(cyclobutylideneamino)ethanamine.

Molecular Properties

Compound Name2-(cyclobutylideneamino)ethanamine
PubChem CID163651545
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2-(cyclobutylideneamino)ethanamine
SMILESNCCN=C1CCC1
InChIInChI=1S/C6H12N2/c7-4-5-8-6-2-1-3-6/h1-5,7H2
InChIKeyCXDJMZNYYKDRNC-UHFFFAOYSA-N
XLogP0.57
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.57
H-Bond Donors ≤ 51
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-(cyclobutylideneamino)ethanamine?
The IUPAC name of 2-(cyclobutylideneamino)ethanamine (CID 163651545) is 2-(cyclobutylideneamino)ethanamine.
What is the SMILES notation for 2-(cyclobutylideneamino)ethanamine?
The canonical SMILES for 2-(cyclobutylideneamino)ethanamine is NCCN=C1CCC1.
What is the InChIKey of 2-(cyclobutylideneamino)ethanamine?
The InChIKey is CXDJMZNYYKDRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c7-4-5-8-6-2-1-3-6/h1-5,7H2.
What are the key properties of 2-(cyclobutylideneamino)ethanamine?
2-(cyclobutylideneamino)ethanamine has a molecular weight of 112.18 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylideneamino)ethanamine is sourced from PubChem (CID 163651545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).