carbamimidoyl-tris(prop-2-enyl)azanium

C10H18N3+ — CID 88814281

IUPACcarbamimidoyl-tris(prop-2-enyl)azanium
SMILES[H]/N=C(\N)[N+](CC=C)(CC=C)CC=C
InChIInChI=1S/C10H18N3/c1-4-7-13(8-5-2,9-6-3)10(11)12/h4-6H,1-3,7-9H2,(H3,11,12)/q+1
InChIKeyDCVYSTOAHANABW-UHFFFAOYSA-N
MW180.27 g/mol
LogP1.25
Rot. Bonds6

About carbamimidoyl-tris(prop-2-enyl)azanium

carbamimidoyl-tris(prop-2-enyl)azanium (PubChem CID 88814281) has the molecular formula C10H18N3+ and a molecular weight of 180.27 g/mol. Its IUPAC name is carbamimidoyl-tris(prop-2-enyl)azanium.

Molecular Properties

Compound Namecarbamimidoyl-tris(prop-2-enyl)azanium
PubChem CID88814281
Molecular FormulaC10H18N3+
Molecular Weight180.27 g/mol
Exact Mass180.15
IUPAC Namecarbamimidoyl-tris(prop-2-enyl)azanium
SMILES[H]/N=C(\N)[N+](CC=C)(CC=C)CC=C
InChIInChI=1S/C10H18N3/c1-4-7-13(8-5-2,9-6-3)10(11)12/h4-6H,1-3,7-9H2,(H3,11,12)/q+1
InChIKeyDCVYSTOAHANABW-UHFFFAOYSA-N
XLogP1.25
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 51.25
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbamimidoyl-tris(prop-2-enyl)azanium?
The IUPAC name of carbamimidoyl-tris(prop-2-enyl)azanium (CID 88814281) is carbamimidoyl-tris(prop-2-enyl)azanium.
What is the SMILES notation for carbamimidoyl-tris(prop-2-enyl)azanium?
The canonical SMILES for carbamimidoyl-tris(prop-2-enyl)azanium is [H]/N=C(\N)[N+](CC=C)(CC=C)CC=C.
What is the InChIKey of carbamimidoyl-tris(prop-2-enyl)azanium?
The InChIKey is DCVYSTOAHANABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N3/c1-4-7-13(8-5-2,9-6-3)10(11)12/h4-6H,1-3,7-9H2,(H3,11,12)/q+1.
What are the key properties of carbamimidoyl-tris(prop-2-enyl)azanium?
carbamimidoyl-tris(prop-2-enyl)azanium has a molecular weight of 180.27 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbamimidoyl-tris(prop-2-enyl)azanium is sourced from PubChem (CID 88814281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).