ethane;N-[(Z)-[(Z)-2-methylbut-2-enylidene]amino]methanamine

C8H18N2 — CID 143676038

IUPACethane;N-[(Z)-[(Z)-2-methylbut-2-enylidene]amino]methanamine
SMILESC/C=C(C)\C=N/NC.CC
InChIInChI=1S/C6H12N2.C2H6/c1-4-6(2)5-8-7-3;1-2/h4-5,7H,1-3H3;1-2H3/b6-4-,8-5-;
InChIKeyAFVGLWNDHZDODR-DFLGPFLZSA-N
MW142.25 g/mol
LogP2.18
Rot. Bonds2

About ethane;N-[(Z)-[(Z)-2-methylbut-2-enylidene]amino]methanamine

ethane;N-[(Z)-[(Z)-2-methylbut-2-enylidene]amino]methanamine (PubChem CID 143676038) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is ethane;N-[(Z)-[(Z)-2-methylbut-2-enylidene]amino]methanamine.

Molecular Properties

Compound Nameethane;N-[(Z)-[(Z)-2-methylbut-2-enylidene]amino]methanamine
PubChem CID143676038
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Nameethane;N-[(Z)-[(Z)-2-methylbut-2-enylidene]amino]methanamine
SMILESC/C=C(C)\C=N/NC.CC
InChIInChI=1S/C6H12N2.C2H6/c1-4-6(2)5-8-7-3;1-2/h4-5,7H,1-3H3;1-2H3/b6-4-,8-5-;
InChIKeyAFVGLWNDHZDODR-DFLGPFLZSA-N
XLogP2.18
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 52.18
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 ethane;N-[(Z)-[(Z)-2-methylbut-2-enylidene]amino]methanamine?
The IUPAC name of ethane;N-[(Z)-[(Z)-2-methylbut-2-enylidene]amino]methanamine (CID 143676038) is ethane;N-[(Z)-[(Z)-2-methylbut-2-enylidene]amino]methanamine.
What is the SMILES notation for ethane;N-[(Z)-[(Z)-2-methylbut-2-enylidene]amino]methanamine?
The canonical SMILES for ethane;N-[(Z)-[(Z)-2-methylbut-2-enylidene]amino]methanamine is C/C=C(C)\C=N/NC.CC.
What is the InChIKey of ethane;N-[(Z)-[(Z)-2-methylbut-2-enylidene]amino]methanamine?
The InChIKey is AFVGLWNDHZDODR-DFLGPFLZSA-N. The full InChI is InChI=1S/C6H12N2.C2H6/c1-4-6(2)5-8-7-3;1-2/h4-5,7H,1-3H3;1-2H3/b6-4-,8-5-;.
What are the key properties of ethane;N-[(Z)-[(Z)-2-methylbut-2-enylidene]amino]methanamine?
ethane;N-[(Z)-[(Z)-2-methylbut-2-enylidene]amino]methanamine has a molecular weight of 142.25 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-[(Z)-2-methylbut-2-enylidene]amino]methanamine is sourced from PubChem (CID 143676038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).