9-amino-5-propylnonanal

C12H25NO — CID 151747721

IUPAC9-amino-5-propylnonanal
SMILESCCCC(CCCC=O)CCCCN
InChIInChI=1S/C12H25NO/c1-2-7-12(8-3-5-10-13)9-4-6-11-14/h11-12H,2-10,13H2,1H3
InChIKeyRNWBGYKKUJXGAZ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.90
Rot. Bonds10

About 9-amino-5-propylnonanal

9-amino-5-propylnonanal (PubChem CID 151747721) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 9-amino-5-propylnonanal.

Molecular Properties

Compound Name9-amino-5-propylnonanal
PubChem CID151747721
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name9-amino-5-propylnonanal
SMILESCCCC(CCCC=O)CCCCN
InChIInChI=1S/C12H25NO/c1-2-7-12(8-3-5-10-13)9-4-6-11-14/h11-12H,2-10,13H2,1H3
InChIKeyRNWBGYKKUJXGAZ-UHFFFAOYSA-N
XLogP2.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.90
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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4-hexylundecan-1-amine
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4-heptylundecan-1-amine
CID 146490531
5-hydroxyoctanal
CID 54248840
5-[4-(tridecylamino)butyl]undecane-1,11-diamine
CID 139942223
azane;hydrogen peroxide;methane;5-(methylamino)heptanal;5-N-methylheptane-1,5-diamine;molecular oxygen;hydrate
CID 160716781

Frequently Asked Questions

What is the IUPAC name of 9-amino-5-propylnonanal?
The IUPAC name of 9-amino-5-propylnonanal (CID 151747721) is 9-amino-5-propylnonanal.
What is the SMILES notation for 9-amino-5-propylnonanal?
The canonical SMILES for 9-amino-5-propylnonanal is CCCC(CCCC=O)CCCCN.
What is the InChIKey of 9-amino-5-propylnonanal?
The InChIKey is RNWBGYKKUJXGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-2-7-12(8-3-5-10-13)9-4-6-11-14/h11-12H,2-10,13H2,1H3.
What are the key properties of 9-amino-5-propylnonanal?
9-amino-5-propylnonanal has a molecular weight of 199.34 g/mol, XLogP of 2.90, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-5-propylnonanal is sourced from PubChem (CID 151747721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).