N-[(Z)-3-[amino(methyl)amino]but-2-en-2-yl]methanimine

C6H13N3 — CID 146964297

IUPACN-[(Z)-3-[amino(methyl)amino]but-2-en-2-yl]methanimine
SMILESC=N/C(C)=C(/C)N(C)N
InChIInChI=1S/C6H13N3/c1-5(8-3)6(2)9(4)7/h3,7H2,1-2,4H3/b6-5-
InChIKeyALEREFMLWLDJRD-WAYWQWQTSA-N
MW127.19 g/mol
LogP0.74
Rot. Bonds2

About N-[(Z)-3-[amino(methyl)amino]but-2-en-2-yl]methanimine

N-[(Z)-3-[amino(methyl)amino]but-2-en-2-yl]methanimine (PubChem CID 146964297) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N-[(Z)-3-[amino(methyl)amino]but-2-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[(Z)-3-[amino(methyl)amino]but-2-en-2-yl]methanimine
PubChem CID146964297
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN-[(Z)-3-[amino(methyl)amino]but-2-en-2-yl]methanimine
SMILESC=N/C(C)=C(/C)N(C)N
InChIInChI=1S/C6H13N3/c1-5(8-3)6(2)9(4)7/h3,7H2,1-2,4H3/b6-5-
InChIKeyALEREFMLWLDJRD-WAYWQWQTSA-N
XLogP0.74
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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 N-[(Z)-3-[amino(methyl)amino]but-2-en-2-yl]methanimine?
The IUPAC name of N-[(Z)-3-[amino(methyl)amino]but-2-en-2-yl]methanimine (CID 146964297) is N-[(Z)-3-[amino(methyl)amino]but-2-en-2-yl]methanimine.
What is the SMILES notation for N-[(Z)-3-[amino(methyl)amino]but-2-en-2-yl]methanimine?
The canonical SMILES for N-[(Z)-3-[amino(methyl)amino]but-2-en-2-yl]methanimine is C=N/C(C)=C(/C)N(C)N.
What is the InChIKey of N-[(Z)-3-[amino(methyl)amino]but-2-en-2-yl]methanimine?
The InChIKey is ALEREFMLWLDJRD-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H13N3/c1-5(8-3)6(2)9(4)7/h3,7H2,1-2,4H3/b6-5-.
What are the key properties of N-[(Z)-3-[amino(methyl)amino]but-2-en-2-yl]methanimine?
N-[(Z)-3-[amino(methyl)amino]but-2-en-2-yl]methanimine has a molecular weight of 127.19 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-[amino(methyl)amino]but-2-en-2-yl]methanimine is sourced from PubChem (CID 146964297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).