N-[(E)-pentan-2-ylideneamino]methanamine

C6H14N2 — CID 14415618

IUPACN-[(E)-pentan-2-ylideneamino]methanamine
SMILESCCC/C(C)=N/NC
InChIInChI=1S/C6H14N2/c1-4-5-6(2)8-7-3/h7H,4-5H2,1-3H3/b8-6+
InChIKeyRXUXVCIPHMDFAM-SOFGYWHQSA-N
MW114.19 g/mol
LogP1.38
Rot. Bonds3

About N-[(E)-pentan-2-ylideneamino]methanamine

N-[(E)-pentan-2-ylideneamino]methanamine (PubChem CID 14415618) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is N-[(E)-pentan-2-ylideneamino]methanamine.

Molecular Properties

Compound NameN-[(E)-pentan-2-ylideneamino]methanamine
PubChem CID14415618
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC NameN-[(E)-pentan-2-ylideneamino]methanamine
SMILESCCC/C(C)=N/NC
InChIInChI=1S/C6H14N2/c1-4-5-6(2)8-7-3/h7H,4-5H2,1-3H3/b8-6+
InChIKeyRXUXVCIPHMDFAM-SOFGYWHQSA-N
XLogP1.38
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-[(E)-pentan-2-ylideneamino]methanamine?
The IUPAC name of N-[(E)-pentan-2-ylideneamino]methanamine (CID 14415618) is N-[(E)-pentan-2-ylideneamino]methanamine.
What is the SMILES notation for N-[(E)-pentan-2-ylideneamino]methanamine?
The canonical SMILES for N-[(E)-pentan-2-ylideneamino]methanamine is CCC/C(C)=N/NC.
What is the InChIKey of N-[(E)-pentan-2-ylideneamino]methanamine?
The InChIKey is RXUXVCIPHMDFAM-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H14N2/c1-4-5-6(2)8-7-3/h7H,4-5H2,1-3H3/b8-6+.
What are the key properties of N-[(E)-pentan-2-ylideneamino]methanamine?
N-[(E)-pentan-2-ylideneamino]methanamine has a molecular weight of 114.19 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pentan-2-ylideneamino]methanamine is sourced from PubChem (CID 14415618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).