N-[3-(1-aminoethylideneamino)propyl]acetamide

C7H15N3O — CID 90726181

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

About N-[3-(1-aminoethylideneamino)propyl]acetamide

N-[3-(1-aminoethylideneamino)propyl]acetamide (PubChem CID 90726181) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is N-[3-(1-aminoethylideneamino)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(1-aminoethylideneamino)propyl]acetamide
PubChem CID90726181
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC NameN-[3-(1-aminoethylideneamino)propyl]acetamide
SMILESCC(=O)NCCC/N=C(\C)N
InChIInChI=1S/C7H15N3O/c1-6(8)9-4-3-5-10-7(2)11/h3-5H2,1-2H3,(H2,8,9)(H,10,11)
InChIKeyVFGPAKKVLOSORL-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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Related Compounds

3-(Ethylamino)-3-ethyliminopropanamide
CID 22056443
N-[2-(1-aminoethylideneamino)ethyl]acetamide
CID 23394281
N-[3-(diaminomethylideneamino)propyl]acetamide
CID 54063159
N-[3-amino-3-(diaminomethylideneamino)propyl]acetamide
CID 57105122
3-amino-N-methyl-3-methyliminopropanamide
CID 58823165
2-(1-aminoethylideneamino)-N-propylacetamide
CID 63173609
2-(1-aminoethylideneamino)-N-propan-2-ylacetamide
CID 63173658
N-[2-(1-aminopropylideneamino)ethyl]acetamide
CID 63175662
3-amino-N-ethyl-3-ethyliminopropanamide
CID 69979281
3-amino-N-ethyl-3-iminopropanamide
CID 69999095
N-(2-carbamimidoylethyl)acetamide
CID 82597015
3-(diaminomethylideneamino)-N-ethylpropanamide
CID 104425636

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-aminoethylideneamino)propyl]acetamide?
The IUPAC name of N-[3-(1-aminoethylideneamino)propyl]acetamide (CID 90726181) is N-[3-(1-aminoethylideneamino)propyl]acetamide.
What is the SMILES notation for N-[3-(1-aminoethylideneamino)propyl]acetamide?
The canonical SMILES for N-[3-(1-aminoethylideneamino)propyl]acetamide is CC(=O)NCCC/N=C(\C)N.
What is the InChIKey of N-[3-(1-aminoethylideneamino)propyl]acetamide?
The InChIKey is VFGPAKKVLOSORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-6(8)9-4-3-5-10-7(2)11/h3-5H2,1-2H3,(H2,8,9)(H,10,11).
What are the key properties of N-[3-(1-aminoethylideneamino)propyl]acetamide?
N-[3-(1-aminoethylideneamino)propyl]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-[3-(1-aminoethylideneamino)propyl]acetamide is sourced from PubChem (CID 90726181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).