2-[(1-amino-4-methylpentylidene)amino]-2-imino-N-methylacetamide

C9H18N4O — CID 155337045

IUPAC2-[(1-amino-4-methylpentylidene)amino]-2-imino-N-methylacetamide
SMILES[H]/N=C(\N=C(\N)CCC(C)C)C(=O)NC
InChIInChI=1S/C9H18N4O/c1-6(2)4-5-7(10)13-8(11)9(14)12-3/h6H,4-5H2,1-3H3,(H,12,14)(H3,10,11,13)
InChIKeyYPWUZTWYKKGPIB-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.50
Rot. Bonds3

About 2-[(1-amino-4-methylpentylidene)amino]-2-imino-N-methylacetamide

2-[(1-amino-4-methylpentylidene)amino]-2-imino-N-methylacetamide (PubChem CID 155337045) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-[(1-amino-4-methylpentylidene)amino]-2-imino-N-methylacetamide.

Molecular Properties

Compound Name2-[(1-amino-4-methylpentylidene)amino]-2-imino-N-methylacetamide
PubChem CID155337045
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name2-[(1-amino-4-methylpentylidene)amino]-2-imino-N-methylacetamide
SMILES[H]/N=C(\N=C(\N)CCC(C)C)C(=O)NC
InChIInChI=1S/C9H18N4O/c1-6(2)4-5-7(10)13-8(11)9(14)12-3/h6H,4-5H2,1-3H3,(H,12,14)(H3,10,11,13)
InChIKeyYPWUZTWYKKGPIB-UHFFFAOYSA-N
XLogP0.50
TPSA91.33 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 166729784
CID 166729784
CID 170098903
CID 170098903
CID 63175828
CID 63175828
CID 63175829
CID 63175829

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-4-methylpentylidene)amino]-2-imino-N-methylacetamide?
The IUPAC name of 2-[(1-amino-4-methylpentylidene)amino]-2-imino-N-methylacetamide (CID 155337045) is 2-[(1-amino-4-methylpentylidene)amino]-2-imino-N-methylacetamide.
What is the SMILES notation for 2-[(1-amino-4-methylpentylidene)amino]-2-imino-N-methylacetamide?
The canonical SMILES for 2-[(1-amino-4-methylpentylidene)amino]-2-imino-N-methylacetamide is [H]/N=C(\N=C(\N)CCC(C)C)C(=O)NC.
What is the InChIKey of 2-[(1-amino-4-methylpentylidene)amino]-2-imino-N-methylacetamide?
The InChIKey is YPWUZTWYKKGPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-6(2)4-5-7(10)13-8(11)9(14)12-3/h6H,4-5H2,1-3H3,(H,12,14)(H3,10,11,13).
What are the key properties of 2-[(1-amino-4-methylpentylidene)amino]-2-imino-N-methylacetamide?
2-[(1-amino-4-methylpentylidene)amino]-2-imino-N-methylacetamide has a molecular weight of 198.27 g/mol, XLogP of 0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-4-methylpentylidene)amino]-2-imino-N-methylacetamide is sourced from PubChem (CID 155337045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).