N-[[(E)-but-2-en-2-yl]diazenyl]-N-methylmethanamine

C6H13N3 — CID 89038759

IUPACN-[[(E)-but-2-en-2-yl]diazenyl]-N-methylmethanamine
SMILESC/C=C(C)/N=N/N(C)C
InChIInChI=1S/C6H13N3/c1-5-6(2)7-8-9(3)4/h5H,1-4H3/b6-5+,8-7+
InChIKeyFONCFIJEGJSKSJ-BSWSSELBSA-N
MW127.19 g/mol
LogP1.84
Rot. Bonds2

About N-[[(E)-but-2-en-2-yl]diazenyl]-N-methylmethanamine

N-[[(E)-but-2-en-2-yl]diazenyl]-N-methylmethanamine (PubChem CID 89038759) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N-[[(E)-but-2-en-2-yl]diazenyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[[(E)-but-2-en-2-yl]diazenyl]-N-methylmethanamine
PubChem CID89038759
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN-[[(E)-but-2-en-2-yl]diazenyl]-N-methylmethanamine
SMILESC/C=C(C)/N=N/N(C)C
InChIInChI=1S/C6H13N3/c1-5-6(2)7-8-9(3)4/h5H,1-4H3/b6-5+,8-7+
InChIKeyFONCFIJEGJSKSJ-BSWSSELBSA-N
XLogP1.84
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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-[[(E)-but-2-en-2-yl]diazenyl]-N-methylmethanamine?
The IUPAC name of N-[[(E)-but-2-en-2-yl]diazenyl]-N-methylmethanamine (CID 89038759) is N-[[(E)-but-2-en-2-yl]diazenyl]-N-methylmethanamine.
What is the SMILES notation for N-[[(E)-but-2-en-2-yl]diazenyl]-N-methylmethanamine?
The canonical SMILES for N-[[(E)-but-2-en-2-yl]diazenyl]-N-methylmethanamine is C/C=C(C)/N=N/N(C)C.
What is the InChIKey of N-[[(E)-but-2-en-2-yl]diazenyl]-N-methylmethanamine?
The InChIKey is FONCFIJEGJSKSJ-BSWSSELBSA-N. The full InChI is InChI=1S/C6H13N3/c1-5-6(2)7-8-9(3)4/h5H,1-4H3/b6-5+,8-7+.
What are the key properties of N-[[(E)-but-2-en-2-yl]diazenyl]-N-methylmethanamine?
N-[[(E)-but-2-en-2-yl]diazenyl]-N-methylmethanamine has a molecular weight of 127.19 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(E)-but-2-en-2-yl]diazenyl]-N-methylmethanamine is sourced from PubChem (CID 89038759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).