N-methyl-N-(prop-1-en-2-yldiazenyl)ethanamine

C6H13N3 — CID 118508319

IUPACN-methyl-N-(prop-1-en-2-yldiazenyl)ethanamine
SMILESC=C(C)/N=N/N(C)CC
InChIInChI=1S/C6H13N3/c1-5-9(4)8-7-6(2)3/h2,5H2,1,3-4H3/b8-7+
InChIKeyWQJMQZXYGGVXGX-BQYQJAHWSA-N
MW127.19 g/mol
LogP1.84
Rot. Bonds3

About N-methyl-N-(prop-1-en-2-yldiazenyl)ethanamine

N-methyl-N-(prop-1-en-2-yldiazenyl)ethanamine (PubChem CID 118508319) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N-methyl-N-(prop-1-en-2-yldiazenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-N-(prop-1-en-2-yldiazenyl)ethanamine
PubChem CID118508319
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN-methyl-N-(prop-1-en-2-yldiazenyl)ethanamine
SMILESC=C(C)/N=N/N(C)CC
InChIInChI=1S/C6H13N3/c1-5-9(4)8-7-6(2)3/h2,5H2,1,3-4H3/b8-7+
InChIKeyWQJMQZXYGGVXGX-BQYQJAHWSA-N
XLogP1.84
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.84
H-Bond Donors ≤ 50
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 N-methyl-N-(prop-1-en-2-yldiazenyl)ethanamine?
The IUPAC name of N-methyl-N-(prop-1-en-2-yldiazenyl)ethanamine (CID 118508319) is N-methyl-N-(prop-1-en-2-yldiazenyl)ethanamine.
What is the SMILES notation for N-methyl-N-(prop-1-en-2-yldiazenyl)ethanamine?
The canonical SMILES for N-methyl-N-(prop-1-en-2-yldiazenyl)ethanamine is C=C(C)/N=N/N(C)CC.
What is the InChIKey of N-methyl-N-(prop-1-en-2-yldiazenyl)ethanamine?
The InChIKey is WQJMQZXYGGVXGX-BQYQJAHWSA-N. The full InChI is InChI=1S/C6H13N3/c1-5-9(4)8-7-6(2)3/h2,5H2,1,3-4H3/b8-7+.
What are the key properties of N-methyl-N-(prop-1-en-2-yldiazenyl)ethanamine?
N-methyl-N-(prop-1-en-2-yldiazenyl)ethanamine has a molecular weight of 127.19 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(prop-1-en-2-yldiazenyl)ethanamine is sourced from PubChem (CID 118508319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).