N-(butylideneamino)ethanamine

C6H14N2 — CID 533865

IUPACN-(butylideneamino)ethanamine
SMILESCCCC=NNCC
InChIInChI=1S/C6H14N2/c1-3-5-6-8-7-4-2/h6-7H,3-5H2,1-2H3
InChIKeyYICJUYKPMNNKIA-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.38
Rot. Bonds4

About N-(butylideneamino)ethanamine

N-(butylideneamino)ethanamine (PubChem CID 533865) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is N-(butylideneamino)ethanamine.

Molecular Properties

Compound NameN-(butylideneamino)ethanamine
PubChem CID533865
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC NameN-(butylideneamino)ethanamine
SMILESCCCC=NNCC
InChIInChI=1S/C6H14N2/c1-3-5-6-8-7-4-2/h6-7H,3-5H2,1-2H3
InChIKeyYICJUYKPMNNKIA-UHFFFAOYSA-N
XLogP1.38
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.38
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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Frequently Asked Questions

What is the IUPAC name of N-(butylideneamino)ethanamine?
The IUPAC name of N-(butylideneamino)ethanamine (CID 533865) is N-(butylideneamino)ethanamine.
What is the SMILES notation for N-(butylideneamino)ethanamine?
The canonical SMILES for N-(butylideneamino)ethanamine is CCCC=NNCC.
What is the InChIKey of N-(butylideneamino)ethanamine?
The InChIKey is YICJUYKPMNNKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-3-5-6-8-7-4-2/h6-7H,3-5H2,1-2H3.
What are the key properties of N-(butylideneamino)ethanamine?
N-(butylideneamino)ethanamine has a molecular weight of 114.19 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylideneamino)ethanamine is sourced from PubChem (CID 533865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).