2-(4-amino-4-phosphorosobutyl)guanidine

C5H13N4OP — CID 89493357

IUPAC2-(4-amino-4-phosphorosobutyl)guanidine
SMILESNC(N)=NCCCC(N)P=O
InChIInChI=1S/C5H13N4OP/c6-4(11-10)2-1-3-9-5(7)8/h4H,1-3,6H2,(H4,7,8,9)
InChIKeyQPEQFIMZPNYSRV-UHFFFAOYSA-N
MW176.16 g/mol
LogP-0.38
Rot. Bonds5

About 2-(4-amino-4-phosphorosobutyl)guanidine

2-(4-amino-4-phosphorosobutyl)guanidine (PubChem CID 89493357) has the molecular formula C5H13N4OP and a molecular weight of 176.16 g/mol. Its IUPAC name is 2-(4-amino-4-phosphorosobutyl)guanidine.

Molecular Properties

Compound Name2-(4-amino-4-phosphorosobutyl)guanidine
PubChem CID89493357
Molecular FormulaC5H13N4OP
Molecular Weight176.16 g/mol
Exact Mass176.08
IUPAC Name2-(4-amino-4-phosphorosobutyl)guanidine
SMILESNC(N)=NCCCC(N)P=O
InChIInChI=1S/C5H13N4OP/c6-4(11-10)2-1-3-9-5(7)8/h4H,1-3,6H2,(H4,7,8,9)
InChIKeyQPEQFIMZPNYSRV-UHFFFAOYSA-N
XLogP-0.38
TPSA107.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.16
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-amino-4-phosphorosobutyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R)-1-amino-4-(diaminomethylideneamino)butyl]phosphonic acid
CID 71563402
(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl bromide
CID 148549372
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 162085050
[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]urea
CID 54323460
potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
2-amino-5-(diaminomethylideneamino)pentanoic acid;ruthenium(2+)
CID 23025269
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
CID 146220305
(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl fluoride
CID 54568309
(2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride
CID 135705200
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-4-phosphorosobutyl)guanidine?
The IUPAC name of 2-(4-amino-4-phosphorosobutyl)guanidine (CID 89493357) is 2-(4-amino-4-phosphorosobutyl)guanidine.
What is the SMILES notation for 2-(4-amino-4-phosphorosobutyl)guanidine?
The canonical SMILES for 2-(4-amino-4-phosphorosobutyl)guanidine is NC(N)=NCCCC(N)P=O.
What is the InChIKey of 2-(4-amino-4-phosphorosobutyl)guanidine?
The InChIKey is QPEQFIMZPNYSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N4OP/c6-4(11-10)2-1-3-9-5(7)8/h4H,1-3,6H2,(H4,7,8,9).
What are the key properties of 2-(4-amino-4-phosphorosobutyl)guanidine?
2-(4-amino-4-phosphorosobutyl)guanidine has a molecular weight of 176.16 g/mol, XLogP of -0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-4-phosphorosobutyl)guanidine is sourced from PubChem (CID 89493357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).