3-amino-3-[C-(1-iminopropan-2-yl)-N-propan-2-ylcarbonimidoyl]iminopropanamide

C10H19N5O — CID 123883916

IUPAC3-amino-3-[C-(1-iminopropan-2-yl)-N-propan-2-ylcarbonimidoyl]iminopropanamide
SMILES[H]/N=C/C(C)C(=N/C(C)C)/N=C(/N)CC(N)=O
InChIInChI=1S/C10H19N5O/c1-6(2)14-10(7(3)5-11)15-8(12)4-9(13)16/h5-7,11H,4H2,1-3H3,(H2,13,16)(H2,12,14,15)/b11-5+
InChIKeyFEXHDGLIAMGGAK-VZUCSPMQSA-N
MW225.30 g/mol
LogP0.31
Rot. Bonds5

About 3-amino-3-[C-(1-iminopropan-2-yl)-N-propan-2-ylcarbonimidoyl]iminopropanamide

3-amino-3-[C-(1-iminopropan-2-yl)-N-propan-2-ylcarbonimidoyl]iminopropanamide (PubChem CID 123883916) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 3-amino-3-[C-(1-iminopropan-2-yl)-N-propan-2-ylcarbonimidoyl]iminopropanamide.

Molecular Properties

Compound Name3-amino-3-[C-(1-iminopropan-2-yl)-N-propan-2-ylcarbonimidoyl]iminopropanamide
PubChem CID123883916
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name3-amino-3-[C-(1-iminopropan-2-yl)-N-propan-2-ylcarbonimidoyl]iminopropanamide
SMILES[H]/N=C/C(C)C(=N/C(C)C)/N=C(/N)CC(N)=O
InChIInChI=1S/C10H19N5O/c1-6(2)14-10(7(3)5-11)15-8(12)4-9(13)16/h5-7,11H,4H2,1-3H3,(H2,13,16)(H2,12,14,15)/b11-5+
InChIKeyFEXHDGLIAMGGAK-VZUCSPMQSA-N
XLogP0.31
TPSA117.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-3-[C-(1-iminopropan-2-yl)-N-propan-2-ylcarbonimidoyl]iminopropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[C-(1-iminopropan-2-yl)-N-propan-2-ylcarbonimidoyl]iminopropanamide?
The IUPAC name of 3-amino-3-[C-(1-iminopropan-2-yl)-N-propan-2-ylcarbonimidoyl]iminopropanamide (CID 123883916) is 3-amino-3-[C-(1-iminopropan-2-yl)-N-propan-2-ylcarbonimidoyl]iminopropanamide.
What is the SMILES notation for 3-amino-3-[C-(1-iminopropan-2-yl)-N-propan-2-ylcarbonimidoyl]iminopropanamide?
The canonical SMILES for 3-amino-3-[C-(1-iminopropan-2-yl)-N-propan-2-ylcarbonimidoyl]iminopropanamide is [H]/N=C/C(C)C(=N/C(C)C)/N=C(/N)CC(N)=O.
What is the InChIKey of 3-amino-3-[C-(1-iminopropan-2-yl)-N-propan-2-ylcarbonimidoyl]iminopropanamide?
The InChIKey is FEXHDGLIAMGGAK-VZUCSPMQSA-N. The full InChI is InChI=1S/C10H19N5O/c1-6(2)14-10(7(3)5-11)15-8(12)4-9(13)16/h5-7,11H,4H2,1-3H3,(H2,13,16)(H2,12,14,15)/b11-5+.
What are the key properties of 3-amino-3-[C-(1-iminopropan-2-yl)-N-propan-2-ylcarbonimidoyl]iminopropanamide?
3-amino-3-[C-(1-iminopropan-2-yl)-N-propan-2-ylcarbonimidoyl]iminopropanamide has a molecular weight of 225.30 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[C-(1-iminopropan-2-yl)-N-propan-2-ylcarbonimidoyl]iminopropanamide is sourced from PubChem (CID 123883916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).