N-[(Z)-1-[amino(methyl)amino]prop-1-en-2-yl]methanimine

C5H11N3 — CID 90369842

IUPACN-[(Z)-1-[amino(methyl)amino]prop-1-en-2-yl]methanimine
SMILESC=N/C(C)=C\N(C)N
InChIInChI=1S/C5H11N3/c1-5(7-2)4-8(3)6/h4H,2,6H2,1,3H3/b5-4-
InChIKeyIXSQDOTWNYWGQK-PLNGDYQASA-N
MW113.16 g/mol
LogP0.35
Rot. Bonds2

About N-[(Z)-1-[amino(methyl)amino]prop-1-en-2-yl]methanimine

N-[(Z)-1-[amino(methyl)amino]prop-1-en-2-yl]methanimine (PubChem CID 90369842) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is N-[(Z)-1-[amino(methyl)amino]prop-1-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[(Z)-1-[amino(methyl)amino]prop-1-en-2-yl]methanimine
PubChem CID90369842
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC NameN-[(Z)-1-[amino(methyl)amino]prop-1-en-2-yl]methanimine
SMILESC=N/C(C)=C\N(C)N
InChIInChI=1S/C5H11N3/c1-5(7-2)4-8(3)6/h4H,2,6H2,1,3H3/b5-4-
InChIKeyIXSQDOTWNYWGQK-PLNGDYQASA-N
XLogP0.35
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.35
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)-1-[amino(methyl)amino]prop-1-en-2-yl]methanimine?
The IUPAC name of N-[(Z)-1-[amino(methyl)amino]prop-1-en-2-yl]methanimine (CID 90369842) is N-[(Z)-1-[amino(methyl)amino]prop-1-en-2-yl]methanimine.
What is the SMILES notation for N-[(Z)-1-[amino(methyl)amino]prop-1-en-2-yl]methanimine?
The canonical SMILES for N-[(Z)-1-[amino(methyl)amino]prop-1-en-2-yl]methanimine is C=N/C(C)=C\N(C)N.
What is the InChIKey of N-[(Z)-1-[amino(methyl)amino]prop-1-en-2-yl]methanimine?
The InChIKey is IXSQDOTWNYWGQK-PLNGDYQASA-N. The full InChI is InChI=1S/C5H11N3/c1-5(7-2)4-8(3)6/h4H,2,6H2,1,3H3/b5-4-.
What are the key properties of N-[(Z)-1-[amino(methyl)amino]prop-1-en-2-yl]methanimine?
N-[(Z)-1-[amino(methyl)amino]prop-1-en-2-yl]methanimine has a molecular weight of 113.16 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[amino(methyl)amino]prop-1-en-2-yl]methanimine is sourced from PubChem (CID 90369842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).