4-aminopentadecanal

C15H31NO — CID 91108576

IUPAC4-aminopentadecanal
SMILESCCCCCCCCCCCC(N)CCC=O
InChIInChI=1S/C15H31NO/c1-2-3-4-5-6-7-8-9-10-12-15(16)13-11-14-17/h14-15H,2-13,16H2,1H3
InChIKeySCBODUHNMOUCAP-UHFFFAOYSA-N
MW241.42 g/mol
LogP4.21
Rot. Bonds13

About 4-aminopentadecanal

4-aminopentadecanal (PubChem CID 91108576) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 4-aminopentadecanal.

Molecular Properties

Compound Name4-aminopentadecanal
PubChem CID91108576
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name4-aminopentadecanal
SMILESCCCCCCCCCCCC(N)CCC=O
InChIInChI=1S/C15H31NO/c1-2-3-4-5-6-7-8-9-10-12-15(16)13-11-14-17/h14-15H,2-13,16H2,1H3
InChIKeySCBODUHNMOUCAP-UHFFFAOYSA-N
XLogP4.21
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.21
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

pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
henicosane-8,14-diamine;dihydrochloride
CID 170909168
octadecan-9-amine;hydrochloride
CID 19002510
heptatriaconta-6,28-dien-19-amine
CID 123539967
(4R)-tridecan-4-amine
CID 150614684
8-aminodecanal
CID 173156180
icosane-5,10,16-triamine
CID 88870264
5,9-dimethylhexadecanal
CID 123900450
decan-4-amine;hydrochloride
CID 87728109
nonan-4-amine;hydrochloride
CID 86176929
heptadecan-4-amine;hydrochloride
CID 173248342

Frequently Asked Questions

What is the IUPAC name of 4-aminopentadecanal?
The IUPAC name of 4-aminopentadecanal (CID 91108576) is 4-aminopentadecanal.
What is the SMILES notation for 4-aminopentadecanal?
The canonical SMILES for 4-aminopentadecanal is CCCCCCCCCCCC(N)CCC=O.
What is the InChIKey of 4-aminopentadecanal?
The InChIKey is SCBODUHNMOUCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-2-3-4-5-6-7-8-9-10-12-15(16)13-11-14-17/h14-15H,2-13,16H2,1H3.
What are the key properties of 4-aminopentadecanal?
4-aminopentadecanal has a molecular weight of 241.42 g/mol, XLogP of 4.21, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopentadecanal is sourced from PubChem (CID 91108576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).