methanimine;N-[(Z)-pentan-2-ylideneamino]methanamine

C7H17N3 — CID 153389216

IUPACmethanimine;N-[(Z)-pentan-2-ylideneamino]methanamine
SMILESCCC/C(C)=N\NC.[H]N=C
InChIInChI=1S/C6H14N2.CH3N/c1-4-5-6(2)8-7-3;1-2/h7H,4-5H2,1-3H3;2H,1H2/b8-6-;
InChIKeyWOYCVTACHOXSKE-PHZXCRFESA-N
MW143.23 g/mol
LogP1.65
Rot. Bonds3

About methanimine;N-[(Z)-pentan-2-ylideneamino]methanamine

methanimine;N-[(Z)-pentan-2-ylideneamino]methanamine (PubChem CID 153389216) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is methanimine;N-[(Z)-pentan-2-ylideneamino]methanamine.

Molecular Properties

Compound Namemethanimine;N-[(Z)-pentan-2-ylideneamino]methanamine
PubChem CID153389216
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Namemethanimine;N-[(Z)-pentan-2-ylideneamino]methanamine
SMILESCCC/C(C)=N\NC.[H]N=C
InChIInChI=1S/C6H14N2.CH3N/c1-4-5-6(2)8-7-3;1-2/h7H,4-5H2,1-3H3;2H,1H2/b8-6-;
InChIKeyWOYCVTACHOXSKE-PHZXCRFESA-N
XLogP1.65
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 methanimine;N-[(Z)-pentan-2-ylideneamino]methanamine?
The IUPAC name of methanimine;N-[(Z)-pentan-2-ylideneamino]methanamine (CID 153389216) is methanimine;N-[(Z)-pentan-2-ylideneamino]methanamine.
What is the SMILES notation for methanimine;N-[(Z)-pentan-2-ylideneamino]methanamine?
The canonical SMILES for methanimine;N-[(Z)-pentan-2-ylideneamino]methanamine is CCC/C(C)=N\NC.[H]N=C.
What is the InChIKey of methanimine;N-[(Z)-pentan-2-ylideneamino]methanamine?
The InChIKey is WOYCVTACHOXSKE-PHZXCRFESA-N. The full InChI is InChI=1S/C6H14N2.CH3N/c1-4-5-6(2)8-7-3;1-2/h7H,4-5H2,1-3H3;2H,1H2/b8-6-;.
What are the key properties of methanimine;N-[(Z)-pentan-2-ylideneamino]methanamine?
methanimine;N-[(Z)-pentan-2-ylideneamino]methanamine has a molecular weight of 143.23 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanimine;N-[(Z)-pentan-2-ylideneamino]methanamine is sourced from PubChem (CID 153389216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).