1-[amino-[(Z)-2-amino-3-propoxyprop-1-enyl]amino]propan-2-one

C9H19N3O2 — CID 142369657

IUPAC1-[amino-[(Z)-2-amino-3-propoxyprop-1-enyl]amino]propan-2-one
SMILESCCCOC/C(N)=C/N(N)CC(C)=O
InChIInChI=1S/C9H19N3O2/c1-3-4-14-7-9(10)6-12(11)5-8(2)13/h6H,3-5,7,10-11H2,1-2H3/b9-6-
InChIKeyUKCBACSTHIPXBN-TWGQIWQCSA-N
MW201.27 g/mol
LogP-0.02
Rot. Bonds7

About 1-[amino-[(Z)-2-amino-3-propoxyprop-1-enyl]amino]propan-2-one

1-[amino-[(Z)-2-amino-3-propoxyprop-1-enyl]amino]propan-2-one (PubChem CID 142369657) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-[amino-[(Z)-2-amino-3-propoxyprop-1-enyl]amino]propan-2-one.

Molecular Properties

Compound Name1-[amino-[(Z)-2-amino-3-propoxyprop-1-enyl]amino]propan-2-one
PubChem CID142369657
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name1-[amino-[(Z)-2-amino-3-propoxyprop-1-enyl]amino]propan-2-one
SMILESCCCOC/C(N)=C/N(N)CC(C)=O
InChIInChI=1S/C9H19N3O2/c1-3-4-14-7-9(10)6-12(11)5-8(2)13/h6H,3-5,7,10-11H2,1-2H3/b9-6-
InChIKeyUKCBACSTHIPXBN-TWGQIWQCSA-N
XLogP-0.02
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[amino-[(Z)-2-amino-3-propoxyprop-1-enyl]amino]propan-2-one?
The IUPAC name of 1-[amino-[(Z)-2-amino-3-propoxyprop-1-enyl]amino]propan-2-one (CID 142369657) is 1-[amino-[(Z)-2-amino-3-propoxyprop-1-enyl]amino]propan-2-one.
What is the SMILES notation for 1-[amino-[(Z)-2-amino-3-propoxyprop-1-enyl]amino]propan-2-one?
The canonical SMILES for 1-[amino-[(Z)-2-amino-3-propoxyprop-1-enyl]amino]propan-2-one is CCCOC/C(N)=C/N(N)CC(C)=O.
What is the InChIKey of 1-[amino-[(Z)-2-amino-3-propoxyprop-1-enyl]amino]propan-2-one?
The InChIKey is UKCBACSTHIPXBN-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-3-4-14-7-9(10)6-12(11)5-8(2)13/h6H,3-5,7,10-11H2,1-2H3/b9-6-.
What are the key properties of 1-[amino-[(Z)-2-amino-3-propoxyprop-1-enyl]amino]propan-2-one?
1-[amino-[(Z)-2-amino-3-propoxyprop-1-enyl]amino]propan-2-one has a molecular weight of 201.27 g/mol, XLogP of -0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-[(Z)-2-amino-3-propoxyprop-1-enyl]amino]propan-2-one is sourced from PubChem (CID 142369657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).