3-aminopropanal;nonane

C12H27NO — CID 175260706

IUPAC3-aminopropanal;nonane
SMILESCCCCCCCCC.NCCC=O
InChIInChI=1S/C9H20.C3H7NO/c1-3-5-7-9-8-6-4-2;4-2-1-3-5/h3-9H2,1-2H3;3H,1-2,4H2
InChIKeyINOVNTYOPLFWPJ-UHFFFAOYSA-N
MW201.35 g/mol
LogP3.29
Rot. Bonds8

About 3-aminopropanal;nonane

3-aminopropanal;nonane (PubChem CID 175260706) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 3-aminopropanal;nonane.

Molecular Properties

Compound Name3-aminopropanal;nonane
PubChem CID175260706
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name3-aminopropanal;nonane
SMILESCCCCCCCCC.NCCC=O
InChIInChI=1S/C9H20.C3H7NO/c1-3-5-7-9-8-6-4-2;4-2-1-3-5/h3-9H2,1-2H3;3H,1-2,4H2
InChIKeyINOVNTYOPLFWPJ-UHFFFAOYSA-N
XLogP3.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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calcium;hydride;octanal
CID 173446851
acetaldehyde;dodecanal
CID 163903587
hexanal;titanium
CID 87066655
hexanal;trihydrochloride
CID 175325753
(E)-octadec-8-enal
CID 5365013
(Z)-pentadec-6-enal
CID 10489351

Frequently Asked Questions

What is the IUPAC name of 3-aminopropanal;nonane?
The IUPAC name of 3-aminopropanal;nonane (CID 175260706) is 3-aminopropanal;nonane.
What is the SMILES notation for 3-aminopropanal;nonane?
The canonical SMILES for 3-aminopropanal;nonane is CCCCCCCCC.NCCC=O.
What is the InChIKey of 3-aminopropanal;nonane?
The InChIKey is INOVNTYOPLFWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20.C3H7NO/c1-3-5-7-9-8-6-4-2;4-2-1-3-5/h3-9H2,1-2H3;3H,1-2,4H2.
What are the key properties of 3-aminopropanal;nonane?
3-aminopropanal;nonane has a molecular weight of 201.35 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropanal;nonane is sourced from PubChem (CID 175260706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).