3-amino-3-propyliminopropanamide

C6H13N3O — CID 126994511

IUPAC3-amino-3-propyliminopropanamide
SMILESCCC/N=C(\N)CC(N)=O
InChIInChI=1S/C6H13N3O/c1-2-3-9-5(7)4-6(8)10/h2-4H2,1H3,(H2,7,9)(H2,8,10)
InChIKeyMDCSAMLTDXGWFL-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.37
Rot. Bonds4

About 3-amino-3-propyliminopropanamide

3-amino-3-propyliminopropanamide (PubChem CID 126994511) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-amino-3-propyliminopropanamide.

Molecular Properties

Compound Name3-amino-3-propyliminopropanamide
PubChem CID126994511
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name3-amino-3-propyliminopropanamide
SMILESCCC/N=C(\N)CC(N)=O
InChIInChI=1S/C6H13N3O/c1-2-3-9-5(7)4-6(8)10/h2-4H2,1H3,(H2,7,9)(H2,8,10)
InChIKeyMDCSAMLTDXGWFL-UHFFFAOYSA-N
XLogP-0.37
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.37
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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Related Compounds

ethyl 3-amino-3-propyliminopropanoate;hydrochloride
CID 88616125
2-propyliminopropanoic acid
CID 91004291
2-[2-(1-aminopropylideneamino)ethoxy]acetamide
CID 106241380
3-amino-2-methyl-3-propyliminopropanamide
CID 154311434
ethane;N'-propylethanimidamide
CID 156797871
2-propylguanidine;sulfuric acid
CID 12725939
1-amino-2-propylguanidine;hydrochloride
CID 173441996
ethane;1-hydroxy-2-propylguanidine
CID 162518458
propanediamide
CID 7911
CID 158833027
CID 158833027
2-[(N-amino-N'-propylcarbamimidoyl)amino]-2-methylpropanamide
CID 104885506
ethene;methane;2-propyl-1-(N'-propylcarbamimidoyl)guanidine;vanadium
CID 158727971

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-propyliminopropanamide?
The IUPAC name of 3-amino-3-propyliminopropanamide (CID 126994511) is 3-amino-3-propyliminopropanamide.
What is the SMILES notation for 3-amino-3-propyliminopropanamide?
The canonical SMILES for 3-amino-3-propyliminopropanamide is CCC/N=C(\N)CC(N)=O.
What is the InChIKey of 3-amino-3-propyliminopropanamide?
The InChIKey is MDCSAMLTDXGWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-2-3-9-5(7)4-6(8)10/h2-4H2,1H3,(H2,7,9)(H2,8,10).
What are the key properties of 3-amino-3-propyliminopropanamide?
3-amino-3-propyliminopropanamide has a molecular weight of 143.19 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-propyliminopropanamide is sourced from PubChem (CID 126994511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).