acetaldehyde;3-amino-2-formamidopropanamide;cyclohexane

C12H25N3O3 — CID 143839925

IUPACacetaldehyde;3-amino-2-formamidopropanamide;cyclohexane
SMILESC1CCCCC1.CC=O.NCC(NC=O)C(N)=O
InChIInChI=1S/C6H12.C4H9N3O2.C2H4O/c1-2-4-6-5-3-1;5-1-3(4(6)9)7-2-8;1-2-3/h1-6H2;2-3H,1,5H2,(H2,6,9)(H,7,8);2H,1H3
InChIKeySKFBFMONIKKMOY-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.09
Rot. Bonds4

About acetaldehyde;3-amino-2-formamidopropanamide;cyclohexane

acetaldehyde;3-amino-2-formamidopropanamide;cyclohexane (PubChem CID 143839925) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is acetaldehyde;3-amino-2-formamidopropanamide;cyclohexane.

Molecular Properties

Compound Nameacetaldehyde;3-amino-2-formamidopropanamide;cyclohexane
PubChem CID143839925
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Nameacetaldehyde;3-amino-2-formamidopropanamide;cyclohexane
SMILESC1CCCCC1.CC=O.NCC(NC=O)C(N)=O
InChIInChI=1S/C6H12.C4H9N3O2.C2H4O/c1-2-4-6-5-3-1;5-1-3(4(6)9)7-2-8;1-2-3/h1-6H2;2-3H,1,5H2,(H2,6,9)(H,7,8);2H,1H3
InChIKeySKFBFMONIKKMOY-UHFFFAOYSA-N
XLogP0.09
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;3-amino-2-formamidopropanamide;cyclohexane?
The IUPAC name of acetaldehyde;3-amino-2-formamidopropanamide;cyclohexane (CID 143839925) is acetaldehyde;3-amino-2-formamidopropanamide;cyclohexane.
What is the SMILES notation for acetaldehyde;3-amino-2-formamidopropanamide;cyclohexane?
The canonical SMILES for acetaldehyde;3-amino-2-formamidopropanamide;cyclohexane is C1CCCCC1.CC=O.NCC(NC=O)C(N)=O.
What is the InChIKey of acetaldehyde;3-amino-2-formamidopropanamide;cyclohexane?
The InChIKey is SKFBFMONIKKMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C4H9N3O2.C2H4O/c1-2-4-6-5-3-1;5-1-3(4(6)9)7-2-8;1-2-3/h1-6H2;2-3H,1,5H2,(H2,6,9)(H,7,8);2H,1H3.
What are the key properties of acetaldehyde;3-amino-2-formamidopropanamide;cyclohexane?
acetaldehyde;3-amino-2-formamidopropanamide;cyclohexane has a molecular weight of 259.35 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;3-amino-2-formamidopropanamide;cyclohexane is sourced from PubChem (CID 143839925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).