2-[(1-amino-2-methylpropylidene)amino]-N-propylacetamide

C9H19N3O — CID 63175417

IUPAC2-[(1-amino-2-methylpropylidene)amino]-N-propylacetamide
SMILESCCCNC(=O)C/N=C(\N)C(C)C
InChIInChI=1S/C9H19N3O/c1-4-5-11-8(13)6-12-9(10)7(2)3/h7H,4-6H2,1-3H3,(H2,10,12)(H,11,13)
InChIKeyUCYLEIMQSFCZQL-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.53
Rot. Bonds5

About 2-[(1-amino-2-methylpropylidene)amino]-N-propylacetamide

2-[(1-amino-2-methylpropylidene)amino]-N-propylacetamide (PubChem CID 63175417) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[(1-amino-2-methylpropylidene)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(1-amino-2-methylpropylidene)amino]-N-propylacetamide
PubChem CID63175417
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-[(1-amino-2-methylpropylidene)amino]-N-propylacetamide
SMILESCCCNC(=O)C/N=C(\N)C(C)C
InChIInChI=1S/C9H19N3O/c1-4-5-11-8(13)6-12-9(10)7(2)3/h7H,4-6H2,1-3H3,(H2,10,12)(H,11,13)
InChIKeyUCYLEIMQSFCZQL-UHFFFAOYSA-N
XLogP0.53
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.53
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2-methylpropylidene)amino]-N-propylacetamide?
The IUPAC name of 2-[(1-amino-2-methylpropylidene)amino]-N-propylacetamide (CID 63175417) is 2-[(1-amino-2-methylpropylidene)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(1-amino-2-methylpropylidene)amino]-N-propylacetamide?
The canonical SMILES for 2-[(1-amino-2-methylpropylidene)amino]-N-propylacetamide is CCCNC(=O)C/N=C(\N)C(C)C.
What is the InChIKey of 2-[(1-amino-2-methylpropylidene)amino]-N-propylacetamide?
The InChIKey is UCYLEIMQSFCZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-4-5-11-8(13)6-12-9(10)7(2)3/h7H,4-6H2,1-3H3,(H2,10,12)(H,11,13).
What are the key properties of 2-[(1-amino-2-methylpropylidene)amino]-N-propylacetamide?
2-[(1-amino-2-methylpropylidene)amino]-N-propylacetamide has a molecular weight of 185.27 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2-methylpropylidene)amino]-N-propylacetamide is sourced from PubChem (CID 63175417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).