N-[3-[3-formamidopropyl(methyl)amino]propyl]formamide

C9H19N3O2 — CID 3084810

IUPACN-[3-[3-formamidopropyl(methyl)amino]propyl]formamide
SMILESCN(CCCNC=O)CCCNC=O
InChIInChI=1S/C9H19N3O2/c1-12(6-2-4-10-8-13)7-3-5-11-9-14/h8-9H,2-7H2,1H3,(H,10,13)(H,11,14)
InChIKeyOYBJIUFXAWECLJ-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.81
Rot. Bonds10

About N-[3-[3-formamidopropyl(methyl)amino]propyl]formamide

N-[3-[3-formamidopropyl(methyl)amino]propyl]formamide (PubChem CID 3084810) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-[3-[3-formamidopropyl(methyl)amino]propyl]formamide.

Molecular Properties

Compound NameN-[3-[3-formamidopropyl(methyl)amino]propyl]formamide
PubChem CID3084810
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN-[3-[3-formamidopropyl(methyl)amino]propyl]formamide
SMILESCN(CCCNC=O)CCCNC=O
InChIInChI=1S/C9H19N3O2/c1-12(6-2-4-10-8-13)7-3-5-11-9-14/h8-9H,2-7H2,1H3,(H,10,13)(H,11,14)
InChIKeyOYBJIUFXAWECLJ-UHFFFAOYSA-N
XLogP-0.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-formamidopropyl(methyl)amino]propyl]formamide?
The IUPAC name of N-[3-[3-formamidopropyl(methyl)amino]propyl]formamide (CID 3084810) is N-[3-[3-formamidopropyl(methyl)amino]propyl]formamide.
What is the SMILES notation for N-[3-[3-formamidopropyl(methyl)amino]propyl]formamide?
The canonical SMILES for N-[3-[3-formamidopropyl(methyl)amino]propyl]formamide is CN(CCCNC=O)CCCNC=O.
What is the InChIKey of N-[3-[3-formamidopropyl(methyl)amino]propyl]formamide?
The InChIKey is OYBJIUFXAWECLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-12(6-2-4-10-8-13)7-3-5-11-9-14/h8-9H,2-7H2,1H3,(H,10,13)(H,11,14).
What are the key properties of N-[3-[3-formamidopropyl(methyl)amino]propyl]formamide?
N-[3-[3-formamidopropyl(methyl)amino]propyl]formamide has a molecular weight of 201.27 g/mol, XLogP of -0.81, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-formamidopropyl(methyl)amino]propyl]formamide is sourced from PubChem (CID 3084810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).