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

C5H11N3 — CID 123351575

IUPACN-methyl-N-(prop-1-en-2-yldiazenyl)methanamine
SMILESC=C(C)/N=N/N(C)C
InChIInChI=1S/C5H11N3/c1-5(2)6-7-8(3)4/h1H2,2-4H3/b7-6+
InChIKeyCFPJFKUXYOFKCX-VOTSOKGWSA-N
MW113.16 g/mol
LogP1.45
Rot. Bonds2

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

N-methyl-N-(prop-1-en-2-yldiazenyl)methanamine (PubChem CID 123351575) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is N-methyl-N-(prop-1-en-2-yldiazenyl)methanamine.

Molecular Properties

Compound NameN-methyl-N-(prop-1-en-2-yldiazenyl)methanamine
PubChem CID123351575
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC NameN-methyl-N-(prop-1-en-2-yldiazenyl)methanamine
SMILESC=C(C)/N=N/N(C)C
InChIInChI=1S/C5H11N3/c1-5(2)6-7-8(3)4/h1H2,2-4H3/b7-6+
InChIKeyCFPJFKUXYOFKCX-VOTSOKGWSA-N
XLogP1.45
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.45
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)methanamine?
The IUPAC name of N-methyl-N-(prop-1-en-2-yldiazenyl)methanamine (CID 123351575) is N-methyl-N-(prop-1-en-2-yldiazenyl)methanamine.
What is the SMILES notation for N-methyl-N-(prop-1-en-2-yldiazenyl)methanamine?
The canonical SMILES for N-methyl-N-(prop-1-en-2-yldiazenyl)methanamine is C=C(C)/N=N/N(C)C.
What is the InChIKey of N-methyl-N-(prop-1-en-2-yldiazenyl)methanamine?
The InChIKey is CFPJFKUXYOFKCX-VOTSOKGWSA-N. The full InChI is InChI=1S/C5H11N3/c1-5(2)6-7-8(3)4/h1H2,2-4H3/b7-6+.
What are the key properties of N-methyl-N-(prop-1-en-2-yldiazenyl)methanamine?
N-methyl-N-(prop-1-en-2-yldiazenyl)methanamine has a molecular weight of 113.16 g/mol, XLogP of 1.45, 2 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)methanamine is sourced from PubChem (CID 123351575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).