N-[(Z)-2-methylprop-2-enylideneamino]ethanamine

C6H12N2 — CID 118153029

IUPACN-[(Z)-2-methylprop-2-enylideneamino]ethanamine
SMILESC=C(C)/C=N\NCC
InChIInChI=1S/C6H12N2/c1-4-7-8-5-6(2)3/h5,7H,2,4H2,1,3H3/b8-5-
InChIKeyJPHORYJIDKPZJM-YVMONPNESA-N
MW112.18 g/mol
LogP1.16
Rot. Bonds3

About N-[(Z)-2-methylprop-2-enylideneamino]ethanamine

N-[(Z)-2-methylprop-2-enylideneamino]ethanamine (PubChem CID 118153029) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N-[(Z)-2-methylprop-2-enylideneamino]ethanamine.

Molecular Properties

Compound NameN-[(Z)-2-methylprop-2-enylideneamino]ethanamine
PubChem CID118153029
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN-[(Z)-2-methylprop-2-enylideneamino]ethanamine
SMILESC=C(C)/C=N\NCC
InChIInChI=1S/C6H12N2/c1-4-7-8-5-6(2)3/h5,7H,2,4H2,1,3H3/b8-5-
InChIKeyJPHORYJIDKPZJM-YVMONPNESA-N
XLogP1.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.16
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-[(Z)-2-methylprop-2-enylideneamino]ethanamine?
The IUPAC name of N-[(Z)-2-methylprop-2-enylideneamino]ethanamine (CID 118153029) is N-[(Z)-2-methylprop-2-enylideneamino]ethanamine.
What is the SMILES notation for N-[(Z)-2-methylprop-2-enylideneamino]ethanamine?
The canonical SMILES for N-[(Z)-2-methylprop-2-enylideneamino]ethanamine is C=C(C)/C=N\NCC.
What is the InChIKey of N-[(Z)-2-methylprop-2-enylideneamino]ethanamine?
The InChIKey is JPHORYJIDKPZJM-YVMONPNESA-N. The full InChI is InChI=1S/C6H12N2/c1-4-7-8-5-6(2)3/h5,7H,2,4H2,1,3H3/b8-5-.
What are the key properties of N-[(Z)-2-methylprop-2-enylideneamino]ethanamine?
N-[(Z)-2-methylprop-2-enylideneamino]ethanamine has a molecular weight of 112.18 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-methylprop-2-enylideneamino]ethanamine is sourced from PubChem (CID 118153029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).