N-(cyclobutylideneamino)ethanamine

C6H12N2 — CID 57265718

IUPACN-(cyclobutylideneamino)ethanamine
SMILESCCNN=C1CCC1
InChIInChI=1S/C6H12N2/c1-2-7-8-6-4-3-5-6/h7H,2-5H2,1H3
InChIKeyGITQSHCNPHMYAQ-UHFFFAOYSA-N
MW112.18 g/mol
LogP1.14
Rot. Bonds2

About N-(cyclobutylideneamino)ethanamine

N-(cyclobutylideneamino)ethanamine (PubChem CID 57265718) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N-(cyclobutylideneamino)ethanamine.

Molecular Properties

Compound NameN-(cyclobutylideneamino)ethanamine
PubChem CID57265718
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN-(cyclobutylideneamino)ethanamine
SMILESCCNN=C1CCC1
InChIInChI=1S/C6H12N2/c1-2-7-8-6-4-3-5-6/h7H,2-5H2,1H3
InChIKeyGITQSHCNPHMYAQ-UHFFFAOYSA-N
XLogP1.14
TPSA24.39 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 ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Propanone, propylhydrazone
CID 139018
2-Propanone, (1-methylethyl)hydrazone
CID 139019
3-Methyl-4,5-dihydro-1H-pyrazole
CID 558092
Acetone ethylhydrazone
CID 544861
Acetone butylhydrazone
CID 21452323
2-Butanone, ethylhydrazone
CID 535835
Methylethylketone ethylhydrazone
CID 9601421
Acetone 2-aminoethylhydrazone
CID 12404884
2-Butanone ethyl hydrazone
CID 5363016
Sec-butylhydrazone methylethylketone
CID 5363022
Methylethylketone sec-butylhydrazone
CID 9601425
2-Butanone sec-butyl hydrazone
CID 535880

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylideneamino)ethanamine?
The IUPAC name of N-(cyclobutylideneamino)ethanamine (CID 57265718) is N-(cyclobutylideneamino)ethanamine.
What is the SMILES notation for N-(cyclobutylideneamino)ethanamine?
The canonical SMILES for N-(cyclobutylideneamino)ethanamine is CCNN=C1CCC1.
What is the InChIKey of N-(cyclobutylideneamino)ethanamine?
The InChIKey is GITQSHCNPHMYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-2-7-8-6-4-3-5-6/h7H,2-5H2,1H3.
What are the key properties of N-(cyclobutylideneamino)ethanamine?
N-(cyclobutylideneamino)ethanamine has a molecular weight of 112.18 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylideneamino)ethanamine is sourced from PubChem (CID 57265718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).