[(Z)-3-amino-3-iminoprop-1-enyl]-methyl-methylideneazanium

C5H10N3+ — CID 89378885

IUPAC[(Z)-3-amino-3-iminoprop-1-enyl]-methyl-methylideneazanium
SMILES[H]/N=C(N)/C=C\[N+](=C)C
InChIInChI=1S/C5H10N3/c1-8(2)4-3-5(6)7/h3-4H,1H2,2H3,(H3,6,7)/q+1/b4-3-
InChIKeyUNXSHGUOUYORBY-ARJAWSKDSA-N
MW112.16 g/mol
LogP-0.22
Rot. Bonds2

About [(Z)-3-amino-3-iminoprop-1-enyl]-methyl-methylideneazanium

[(Z)-3-amino-3-iminoprop-1-enyl]-methyl-methylideneazanium (PubChem CID 89378885) has the molecular formula C5H10N3+ and a molecular weight of 112.16 g/mol. Its IUPAC name is [(Z)-3-amino-3-iminoprop-1-enyl]-methyl-methylideneazanium.

Molecular Properties

Compound Name[(Z)-3-amino-3-iminoprop-1-enyl]-methyl-methylideneazanium
PubChem CID89378885
Molecular FormulaC5H10N3+
Molecular Weight112.16 g/mol
Exact Mass112.09
IUPAC Name[(Z)-3-amino-3-iminoprop-1-enyl]-methyl-methylideneazanium
SMILES[H]/N=C(N)/C=C\[N+](=C)C
InChIInChI=1S/C5H10N3/c1-8(2)4-3-5(6)7/h3-4H,1H2,2H3,(H3,6,7)/q+1/b4-3-
InChIKeyUNXSHGUOUYORBY-ARJAWSKDSA-N
XLogP-0.22
TPSA52.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.16
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-3-amino-3-iminoprop-1-enyl]-methyl-methylideneazanium?
The IUPAC name of [(Z)-3-amino-3-iminoprop-1-enyl]-methyl-methylideneazanium (CID 89378885) is [(Z)-3-amino-3-iminoprop-1-enyl]-methyl-methylideneazanium.
What is the SMILES notation for [(Z)-3-amino-3-iminoprop-1-enyl]-methyl-methylideneazanium?
The canonical SMILES for [(Z)-3-amino-3-iminoprop-1-enyl]-methyl-methylideneazanium is [H]/N=C(N)/C=C\[N+](=C)C.
What is the InChIKey of [(Z)-3-amino-3-iminoprop-1-enyl]-methyl-methylideneazanium?
The InChIKey is UNXSHGUOUYORBY-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H10N3/c1-8(2)4-3-5(6)7/h3-4H,1H2,2H3,(H3,6,7)/q+1/b4-3-.
What are the key properties of [(Z)-3-amino-3-iminoprop-1-enyl]-methyl-methylideneazanium?
[(Z)-3-amino-3-iminoprop-1-enyl]-methyl-methylideneazanium has a molecular weight of 112.16 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-amino-3-iminoprop-1-enyl]-methyl-methylideneazanium is sourced from PubChem (CID 89378885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).