N-[2-(1-aminopropylideneamino)ethyl]acetamide

C7H15N3O — CID 63175662

IUPACN-[2-(1-aminopropylideneamino)ethyl]acetamide
SMILESCC/C(N)=N\CCNC(C)=O
InChIInChI=1S/C7H15N3O/c1-3-7(8)10-5-4-9-6(2)11/h3-5H2,1-2H3,(H2,8,10)(H,9,11)
InChIKeyYZXIVSVNKSWZHO-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.11
Rot. Bonds4

About N-[2-(1-aminopropylideneamino)ethyl]acetamide

N-[2-(1-aminopropylideneamino)ethyl]acetamide (PubChem CID 63175662) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is N-[2-(1-aminopropylideneamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1-aminopropylideneamino)ethyl]acetamide
PubChem CID63175662
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC NameN-[2-(1-aminopropylideneamino)ethyl]acetamide
SMILESCC/C(N)=N\CCNC(C)=O
InChIInChI=1S/C7H15N3O/c1-3-7(8)10-5-4-9-6(2)11/h3-5H2,1-2H3,(H2,8,10)(H,9,11)
InChIKeyYZXIVSVNKSWZHO-UHFFFAOYSA-N
XLogP-0.11
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N-[2-(1-aminopropylideneamino)ethyl]acetamide?
The IUPAC name of N-[2-(1-aminopropylideneamino)ethyl]acetamide (CID 63175662) is N-[2-(1-aminopropylideneamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(1-aminopropylideneamino)ethyl]acetamide?
The canonical SMILES for N-[2-(1-aminopropylideneamino)ethyl]acetamide is CC/C(N)=N\CCNC(C)=O.
What is the InChIKey of N-[2-(1-aminopropylideneamino)ethyl]acetamide?
The InChIKey is YZXIVSVNKSWZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-3-7(8)10-5-4-9-6(2)11/h3-5H2,1-2H3,(H2,8,10)(H,9,11).
What are the key properties of N-[2-(1-aminopropylideneamino)ethyl]acetamide?
N-[2-(1-aminopropylideneamino)ethyl]acetamide has a molecular weight of 157.22 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminopropylideneamino)ethyl]acetamide is sourced from PubChem (CID 63175662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).