2-(2-amino-4-methyl-3-oxopentyl)guanidine;ethane

C9H22N4O — CID 143997249

IUPAC2-(2-amino-4-methyl-3-oxopentyl)guanidine;ethane
SMILESCC.CC(C)C(=O)C(N)CN=C(N)N
InChIInChI=1S/C7H16N4O.C2H6/c1-4(2)6(12)5(8)3-11-7(9)10;1-2/h4-5H,3,8H2,1-2H3,(H4,9,10,11);1-2H3
InChIKeyVMJSMVHQBAMXKJ-UHFFFAOYSA-N
MW202.30 g/mol
LogP-0.16
Rot. Bonds4

About 2-(2-amino-4-methyl-3-oxopentyl)guanidine;ethane

2-(2-amino-4-methyl-3-oxopentyl)guanidine;ethane (PubChem CID 143997249) has the molecular formula C9H22N4O and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-(2-amino-4-methyl-3-oxopentyl)guanidine;ethane.

Molecular Properties

Compound Name2-(2-amino-4-methyl-3-oxopentyl)guanidine;ethane
PubChem CID143997249
Molecular FormulaC9H22N4O
Molecular Weight202.30 g/mol
Exact Mass202.18
IUPAC Name2-(2-amino-4-methyl-3-oxopentyl)guanidine;ethane
SMILESCC.CC(C)C(=O)C(N)CN=C(N)N
InChIInChI=1S/C7H16N4O.C2H6/c1-4(2)6(12)5(8)3-11-7(9)10;1-2/h4-5H,3,8H2,1-2H3,(H4,9,10,11);1-2H3
InChIKeyVMJSMVHQBAMXKJ-UHFFFAOYSA-N
XLogP-0.16
TPSA107.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-0.16
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 2-(2-amino-4-methyl-3-oxopentyl)guanidine;ethane 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

2-[(3S)-3-amino-5-methyl-4-oxohexyl]guanidine
CID 57720986
2-(4-Amino-6-methyl-5-oxoheptyl)guanidine
CID 58593150
1-(diaminomethylidene)-2-[(2S)-4-methyl-3-oxo-2-(propan-2-ylamino)pentyl]guanidine
CID 58787799
2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine
CID 59022410
2-[(4R)-4-amino-6-methyl-5-oxoheptyl]guanidine
CID 59022411
2-[(2R)-2-amino-4-methyl-3-oxopentyl]guanidine
CID 59223303
2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine
CID 59223305
2-[(3R)-3-amino-5-methyl-4-oxohexyl]guanidine
CID 59223306
2-(2-Amino-4-methyl-3-oxopentyl)guanidine
CID 72534777
(2S)-2-amino-4-methylpentanamide;2-butylguanidine
CID 88377498
2-[(2R)-2,4-dimethyl-3-oxopentyl]guanidine
CID 88556886
2-[(2S)-2,4-dimethyl-3-oxopentyl]guanidine
CID 88556887

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methyl-3-oxopentyl)guanidine;ethane?
The IUPAC name of 2-(2-amino-4-methyl-3-oxopentyl)guanidine;ethane (CID 143997249) is 2-(2-amino-4-methyl-3-oxopentyl)guanidine;ethane.
What is the SMILES notation for 2-(2-amino-4-methyl-3-oxopentyl)guanidine;ethane?
The canonical SMILES for 2-(2-amino-4-methyl-3-oxopentyl)guanidine;ethane is CC.CC(C)C(=O)C(N)CN=C(N)N.
What is the InChIKey of 2-(2-amino-4-methyl-3-oxopentyl)guanidine;ethane?
The InChIKey is VMJSMVHQBAMXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O.C2H6/c1-4(2)6(12)5(8)3-11-7(9)10;1-2/h4-5H,3,8H2,1-2H3,(H4,9,10,11);1-2H3.
What are the key properties of 2-(2-amino-4-methyl-3-oxopentyl)guanidine;ethane?
2-(2-amino-4-methyl-3-oxopentyl)guanidine;ethane has a molecular weight of 202.30 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methyl-3-oxopentyl)guanidine;ethane is sourced from PubChem (CID 143997249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).