ethane;N-(methyldiazenyl)prop-1-en-2-amine

C6H15N3 — CID 143408028

IUPACethane;N-(methyldiazenyl)prop-1-en-2-amine
SMILESC=C(C)N/N=N/C.CC
InChIInChI=1S/C4H9N3.C2H6/c1-4(2)6-7-5-3;1-2/h1H2,2-3H3,(H,5,6);1-2H3
InChIKeyWYVTXJNRCPFJMB-UHFFFAOYSA-N
MW129.21 g/mol
LogP2.13
Rot. Bonds2

About ethane;N-(methyldiazenyl)prop-1-en-2-amine

ethane;N-(methyldiazenyl)prop-1-en-2-amine (PubChem CID 143408028) has the molecular formula C6H15N3 and a molecular weight of 129.21 g/mol. Its IUPAC name is ethane;N-(methyldiazenyl)prop-1-en-2-amine.

Molecular Properties

Compound Nameethane;N-(methyldiazenyl)prop-1-en-2-amine
PubChem CID143408028
Molecular FormulaC6H15N3
Molecular Weight129.21 g/mol
Exact Mass129.13
IUPAC Nameethane;N-(methyldiazenyl)prop-1-en-2-amine
SMILESC=C(C)N/N=N/C.CC
InChIInChI=1S/C4H9N3.C2H6/c1-4(2)6-7-5-3;1-2/h1H2,2-3H3,(H,5,6);1-2H3
InChIKeyWYVTXJNRCPFJMB-UHFFFAOYSA-N
XLogP2.13
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.21
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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-(methyldiazenyl)prop-1-en-2-amine?
The IUPAC name of ethane;N-(methyldiazenyl)prop-1-en-2-amine (CID 143408028) is ethane;N-(methyldiazenyl)prop-1-en-2-amine.
What is the SMILES notation for ethane;N-(methyldiazenyl)prop-1-en-2-amine?
The canonical SMILES for ethane;N-(methyldiazenyl)prop-1-en-2-amine is C=C(C)N/N=N/C.CC.
What is the InChIKey of ethane;N-(methyldiazenyl)prop-1-en-2-amine?
The InChIKey is WYVTXJNRCPFJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3.C2H6/c1-4(2)6-7-5-3;1-2/h1H2,2-3H3,(H,5,6);1-2H3.
What are the key properties of ethane;N-(methyldiazenyl)prop-1-en-2-amine?
ethane;N-(methyldiazenyl)prop-1-en-2-amine has a molecular weight of 129.21 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(methyldiazenyl)prop-1-en-2-amine is sourced from PubChem (CID 143408028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).