2-[(N-amino-N'-propylcarbamimidoyl)amino]-2-methylpropanamide

C8H19N5O — CID 104885506

IUPAC2-[(N-amino-N'-propylcarbamimidoyl)amino]-2-methylpropanamide
SMILESCCC/N=C(\NN)NC(C)(C)C(N)=O
InChIInChI=1S/C8H19N5O/c1-4-5-11-7(13-10)12-8(2,3)6(9)14/h4-5,10H2,1-3H3,(H2,9,14)(H2,11,12,13)
InChIKeyQLCZNVJBBQAMOW-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.93
Rot. Bonds4

About 2-[(N-amino-N'-propylcarbamimidoyl)amino]-2-methylpropanamide

2-[(N-amino-N'-propylcarbamimidoyl)amino]-2-methylpropanamide (PubChem CID 104885506) has the molecular formula C8H19N5O and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[(N-amino-N'-propylcarbamimidoyl)amino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[(N-amino-N'-propylcarbamimidoyl)amino]-2-methylpropanamide
PubChem CID104885506
Molecular FormulaC8H19N5O
Molecular Weight201.27 g/mol
Exact Mass201.16
IUPAC Name2-[(N-amino-N'-propylcarbamimidoyl)amino]-2-methylpropanamide
SMILESCCC/N=C(\NN)NC(C)(C)C(N)=O
InChIInChI=1S/C8H19N5O/c1-4-5-11-7(13-10)12-8(2,3)6(9)14/h4-5,10H2,1-3H3,(H2,9,14)(H2,11,12,13)
InChIKeyQLCZNVJBBQAMOW-UHFFFAOYSA-N
XLogP-0.93
TPSA105.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(N-amino-N'-propylcarbamimidoyl)amino]-2-methylpropanamide 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

1-amino-3-tert-butyl-2-propylguanidine
CID 104882795
1-amino-3-(1-methoxy-2-methylpropan-2-yl)-2-propylguanidine
CID 104888568
2-[(N-amino-N'-cyclopropylcarbamimidoyl)amino]-2-methylpropanamide
CID 104885512
N-tert-butyl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide
CID 104888339
1-amino-2-propylguanidine;hydrochloride
CID 173441996
1-amino-3-(2-fluoroethyl)-2-propylguanidine
CID 130505160
3-amino-3-propyliminopropanamide
CID 126994511
1-amino-3-hexyl-2-propylguanidine
CID 104886641
1-amino-3-[2-(methanesulfonamido)ethyl]-2-propylguanidine
CID 104883881
1-amino-3-[2-(dimethylamino)ethyl]-2-propylguanidine
CID 104882857
1-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-propylguanidine
CID 106190240
1-amino-3-phenyl-2-propylguanidine
CID 116511382

Frequently Asked Questions

What is the IUPAC name of 2-[(N-amino-N'-propylcarbamimidoyl)amino]-2-methylpropanamide?
The IUPAC name of 2-[(N-amino-N'-propylcarbamimidoyl)amino]-2-methylpropanamide (CID 104885506) is 2-[(N-amino-N'-propylcarbamimidoyl)amino]-2-methylpropanamide.
What is the SMILES notation for 2-[(N-amino-N'-propylcarbamimidoyl)amino]-2-methylpropanamide?
The canonical SMILES for 2-[(N-amino-N'-propylcarbamimidoyl)amino]-2-methylpropanamide is CCC/N=C(\NN)NC(C)(C)C(N)=O.
What is the InChIKey of 2-[(N-amino-N'-propylcarbamimidoyl)amino]-2-methylpropanamide?
The InChIKey is QLCZNVJBBQAMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5O/c1-4-5-11-7(13-10)12-8(2,3)6(9)14/h4-5,10H2,1-3H3,(H2,9,14)(H2,11,12,13).
What are the key properties of 2-[(N-amino-N'-propylcarbamimidoyl)amino]-2-methylpropanamide?
2-[(N-amino-N'-propylcarbamimidoyl)amino]-2-methylpropanamide has a molecular weight of 201.27 g/mol, XLogP of -0.93, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N-amino-N'-propylcarbamimidoyl)amino]-2-methylpropanamide is sourced from PubChem (CID 104885506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).