N-(1-aminopropylidene)carbamimidoyl chloride

C4H8ClN3 — CID 90999184

IUPACN-(1-aminopropylidene)carbamimidoyl chloride
SMILES[H]/N=C(\Cl)N=C(N)CC
InChIInChI=1S/C4H8ClN3/c1-2-3(6)8-4(5)7/h2H2,1H3,(H3,6,7,8)
InChIKeyYGOBQJAHPOSIRB-UHFFFAOYSA-N
MW133.58 g/mol
LogP0.93
Rot. Bonds1

About N-(1-aminopropylidene)carbamimidoyl chloride

N-(1-aminopropylidene)carbamimidoyl chloride (PubChem CID 90999184) has the molecular formula C4H8ClN3 and a molecular weight of 133.58 g/mol. Its IUPAC name is N-(1-aminopropylidene)carbamimidoyl chloride.

Molecular Properties

Compound NameN-(1-aminopropylidene)carbamimidoyl chloride
PubChem CID90999184
Molecular FormulaC4H8ClN3
Molecular Weight133.58 g/mol
Exact Mass133.04
IUPAC NameN-(1-aminopropylidene)carbamimidoyl chloride
SMILES[H]/N=C(\Cl)N=C(N)CC
InChIInChI=1S/C4H8ClN3/c1-2-3(6)8-4(5)7/h2H2,1H3,(H3,6,7,8)
InChIKeyYGOBQJAHPOSIRB-UHFFFAOYSA-N
XLogP0.93
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.58
LogP ≤ 50.93
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': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropylidene)carbamimidoyl chloride?
The IUPAC name of N-(1-aminopropylidene)carbamimidoyl chloride (CID 90999184) is N-(1-aminopropylidene)carbamimidoyl chloride.
What is the SMILES notation for N-(1-aminopropylidene)carbamimidoyl chloride?
The canonical SMILES for N-(1-aminopropylidene)carbamimidoyl chloride is [H]/N=C(\Cl)N=C(N)CC.
What is the InChIKey of N-(1-aminopropylidene)carbamimidoyl chloride?
The InChIKey is YGOBQJAHPOSIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClN3/c1-2-3(6)8-4(5)7/h2H2,1H3,(H3,6,7,8).
What are the key properties of N-(1-aminopropylidene)carbamimidoyl chloride?
N-(1-aminopropylidene)carbamimidoyl chloride has a molecular weight of 133.58 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropylidene)carbamimidoyl chloride is sourced from PubChem (CID 90999184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).