2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]-N-ethyl-N-methylpropanamide

C11H25N5O — CID 103114219

IUPAC2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)N/C(=N/CC(C)C)NN
InChIInChI=1S/C11H25N5O/c1-6-16(5)10(17)9(4)14-11(15-12)13-7-8(2)3/h8-9H,6-7,12H2,1-5H3,(H2,13,14,15)
InChIKeyAGEWGCJPDAQUHB-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.08
Rot. Bonds5

About 2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]-N-ethyl-N-methylpropanamide

2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]-N-ethyl-N-methylpropanamide (PubChem CID 103114219) has the molecular formula C11H25N5O and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]-N-ethyl-N-methylpropanamide
PubChem CID103114219
Molecular FormulaC11H25N5O
Molecular Weight243.35 g/mol
Exact Mass243.21
IUPAC Name2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)N/C(=N/CC(C)C)NN
InChIInChI=1S/C11H25N5O/c1-6-16(5)10(17)9(4)14-11(15-12)13-7-8(2)3/h8-9H,6-7,12H2,1-5H3,(H2,13,14,15)
InChIKeyAGEWGCJPDAQUHB-UHFFFAOYSA-N
XLogP-0.08
TPSA82.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
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'-(2-methylpropyl)carbamimidoyl]amino]-N-ethyl-N-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-2-(2-methylpropyl)-3-pentan-3-ylguanidine
CID 104882850
N-ethyl-N-methyl-2-[(N'-propylcarbamimidoyl)amino]propanamide
CID 103111146
2-[(N-amino-N'-butylcarbamimidoyl)amino]-N,N-diethylpropanamide
CID 104888281
(2S)-2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide
CID 103109126
N,N-dimethyl-2-[[N'-(2-methylpropyl)carbamimidoyl]amino]propanamide
CID 62363808
ethyl 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoacetate
CID 103113071
3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl-methylamino]propanoic acid
CID 103112618
1-amino-3-hexan-3-yl-2-(2-methylpropyl)guanidine
CID 104884261
4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499411
2-[(N'-cyclopropylcarbamimidoyl)amino]-N-ethyl-N-methylpropanamide
CID 103111147
(2S)-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]butanoic acid
CID 103112496
1-amino-2-(2-methylpropyl)-3-(1-methylsulfanylbutan-2-yl)guanidine
CID 104889085

Frequently Asked Questions

What is the IUPAC name of 2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]-N-ethyl-N-methylpropanamide (CID 103114219) is 2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)N/C(=N/CC(C)C)NN.
What is the InChIKey of 2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]-N-ethyl-N-methylpropanamide?
The InChIKey is AGEWGCJPDAQUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N5O/c1-6-16(5)10(17)9(4)14-11(15-12)13-7-8(2)3/h8-9H,6-7,12H2,1-5H3,(H2,13,14,15).
What are the key properties of 2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]-N-ethyl-N-methylpropanamide?
2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]-N-ethyl-N-methylpropanamide has a molecular weight of 243.35 g/mol, XLogP of -0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103114219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).