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

C8H17N5O — CID 104885512

IUPAC2-[(N-amino-N'-cyclopropylcarbamimidoyl)amino]-2-methylpropanamide
SMILESCC(C)(N/C(=N/C1CC1)NN)C(N)=O
InChIInChI=1S/C8H17N5O/c1-8(2,6(9)14)12-7(13-10)11-5-3-4-5/h5H,3-4,10H2,1-2H3,(H2,9,14)(H2,11,12,13)
InChIKeySXCFTOGVTJAJBC-UHFFFAOYSA-N
MW199.26 g/mol
LogP-1.18
Rot. Bonds3

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

2-[(N-amino-N'-cyclopropylcarbamimidoyl)amino]-2-methylpropanamide (PubChem CID 104885512) has the molecular formula C8H17N5O and a molecular weight of 199.26 g/mol. Its IUPAC name is 2-[(N-amino-N'-cyclopropylcarbamimidoyl)amino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[(N-amino-N'-cyclopropylcarbamimidoyl)amino]-2-methylpropanamide
PubChem CID104885512
Molecular FormulaC8H17N5O
Molecular Weight199.26 g/mol
Exact Mass199.14
IUPAC Name2-[(N-amino-N'-cyclopropylcarbamimidoyl)amino]-2-methylpropanamide
SMILESCC(C)(N/C(=N/C1CC1)NN)C(N)=O
InChIInChI=1S/C8H17N5O/c1-8(2,6(9)14)12-7(13-10)11-5-3-4-5/h5H,3-4,10H2,1-2H3,(H2,9,14)(H2,11,12,13)
InChIKeySXCFTOGVTJAJBC-UHFFFAOYSA-N
XLogP-1.18
TPSA105.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 5-1.18
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'}

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Related Compounds

2-[(N-amino-N'-propylcarbamimidoyl)amino]-2-methylpropanamide
CID 104885506
1-amino-2-cyclopropyl-3-(dimethylamino)guanidine
CID 104887916
N-(1-amino-2-methyl-1-oxopropan-2-yl)cyclopropanecarboxamide
CID 61226670
1-amino-2-cyclohexyl-3-(2-methylpentan-2-yl)guanidine
CID 104888558
1-amino-3-cyclopropyl-2-(4-methylcyclohexyl)guanidine
CID 104883140
1-amino-2-cyclopropyl-3-(1,1-dioxothietan-3-yl)guanidine
CID 130820208
3-[(N-amino-N'-cyclopropylcarbamimidoyl)amino]benzamide
CID 107811889
1-amino-2-cyclopropyl-3-(5-methylhexan-2-yl)guanidine
CID 104886508
2-[3-(4-aminocyclohexyl)propanoylamino]-2-methylpropanamide
CID 62782083
N-[4-[(N-amino-N'-cyclohexylcarbamimidoyl)amino]phenyl]acetamide
CID 116511348
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methylpyrrolidine-3-carboxamide
CID 79389113
1-amino-2-cyclopropyl-3-(3-methyl-1,1-dioxothiolan-3-yl)guanidine
CID 104884953

Frequently Asked Questions

What is the IUPAC name of 2-[(N-amino-N'-cyclopropylcarbamimidoyl)amino]-2-methylpropanamide?
The IUPAC name of 2-[(N-amino-N'-cyclopropylcarbamimidoyl)amino]-2-methylpropanamide (CID 104885512) is 2-[(N-amino-N'-cyclopropylcarbamimidoyl)amino]-2-methylpropanamide.
What is the SMILES notation for 2-[(N-amino-N'-cyclopropylcarbamimidoyl)amino]-2-methylpropanamide?
The canonical SMILES for 2-[(N-amino-N'-cyclopropylcarbamimidoyl)amino]-2-methylpropanamide is CC(C)(N/C(=N/C1CC1)NN)C(N)=O.
What is the InChIKey of 2-[(N-amino-N'-cyclopropylcarbamimidoyl)amino]-2-methylpropanamide?
The InChIKey is SXCFTOGVTJAJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O/c1-8(2,6(9)14)12-7(13-10)11-5-3-4-5/h5H,3-4,10H2,1-2H3,(H2,9,14)(H2,11,12,13).
What are the key properties of 2-[(N-amino-N'-cyclopropylcarbamimidoyl)amino]-2-methylpropanamide?
2-[(N-amino-N'-cyclopropylcarbamimidoyl)amino]-2-methylpropanamide has a molecular weight of 199.26 g/mol, XLogP of -1.18, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N-amino-N'-cyclopropylcarbamimidoyl)amino]-2-methylpropanamide is sourced from PubChem (CID 104885512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).