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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Related Compounds

2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol;ethane
CID 144584893
3-[2-[2-[amino-[(Z)-2-amino-3-(2-propoxyethoxy)prop-1-enyl]amino]ethoxy]ethoxy]-N-(4-hydroxyphenyl)propanamide
CID 166479274
(2S)-6-[amino-[(Z)-2-amino-3-[2-[2-[2-[2-[(Z)-2-amino-3-[amino-[(5S)-5-carboxy-5-(pentan-2-ylamino)pentyl]amino]prop-2-enoxy]ethoxy]ethyl-[2-[2-(3-oxobutoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]prop-1-enyl]amino]-2-(pentan-2-ylamino)hexanoic acid;ethane
CID 177058105
2-[[amino-[(Z)-2-amino-3-[2-(2-propoxyethoxy)ethoxy]prop-1-enyl]amino]methyl]-6-methoxy-4-methyloxane-3,5-diol;propane
CID 156709184
1-[amino(ethenyl)amino]propan-2-one
CID 123506750
1-amino-3-propoxypropan-2-one
CID 116548438
3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propanamide
CID 138616319
2,3-dimethyl-1,4-dipropoxybut-2-ene
CID 131851897
2-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 175962657
N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propoxyacetamide
CID 107940532
1-[2-[(Z)-2-amino-3-[methyl(pentyl)amino]prop-2-enoxy]ethoxy]pentan-3-one
CID 178080667
2-[2-(4-oxopentoxy)ethoxy]acetamide
CID 122436040

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).