dodecyl 6-(5-aminopentylamino)hexanoate

C23H48N2O2 — CID 58105631

IUPACdodecyl 6-(5-aminopentylamino)hexanoate
SMILESCCCCCCCCCCCCOC(=O)CCCCCNCCCCCN
InChIInChI=1S/C23H48N2O2/c1-2-3-4-5-6-7-8-9-10-17-22-27-23(26)18-13-11-15-20-25-21-16-12-14-19-24/h25H,2-22,24H2,1H3
InChIKeyFWZDDRMOXNZGPV-UHFFFAOYSA-N
MW384.65 g/mol
LogP5.73
Rot. Bonds22

About dodecyl 6-(5-aminopentylamino)hexanoate

dodecyl 6-(5-aminopentylamino)hexanoate (PubChem CID 58105631) has the molecular formula C23H48N2O2 and a molecular weight of 384.65 g/mol. Its IUPAC name is dodecyl 6-(5-aminopentylamino)hexanoate.

Molecular Properties

Compound Namedodecyl 6-(5-aminopentylamino)hexanoate
PubChem CID58105631
Molecular FormulaC23H48N2O2
Molecular Weight384.65 g/mol
Exact Mass384.37
IUPAC Namedodecyl 6-(5-aminopentylamino)hexanoate
SMILESCCCCCCCCCCCCOC(=O)CCCCCNCCCCCN
InChIInChI=1S/C23H48N2O2/c1-2-3-4-5-6-7-8-9-10-17-22-27-23(26)18-13-11-15-20-25-21-16-12-14-19-24/h25H,2-22,24H2,1H3
InChIKeyFWZDDRMOXNZGPV-UHFFFAOYSA-N
XLogP5.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.65
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

heptyl 4-(6-aminohexylamino)butanoate
CID 175415497
dodecyl tridecanoate;N-octyloctan-1-amine
CID 88604290
nonyl 4-(nonylamino)butanoate
CID 142432007
4-aminobutyl octadecanoate
CID 57169146
pentyl 7-aminoheptanoate
CID 61304511
4-aminobutyl decanoate
CID 57039982
nonyl 8-(2-hydroxyethylamino)octanoate
CID 126697653
pentyl 9-(4-hydroxybutylamino)nonanoate
CID 171836775
undecyl 6-(3-hydroxypropylamino)hexanoate
CID 164552790
pentyl 9-(3-hydroxypropylamino)nonanoate
CID 171836826
nonyl 10-(3-hydroxypropylamino)decanoate
CID 164552702
heptyl 6-(2-hydroxyethylamino)hexanoate
CID 129286369

Frequently Asked Questions

What is the IUPAC name of dodecyl 6-(5-aminopentylamino)hexanoate?
The IUPAC name of dodecyl 6-(5-aminopentylamino)hexanoate (CID 58105631) is dodecyl 6-(5-aminopentylamino)hexanoate.
What is the SMILES notation for dodecyl 6-(5-aminopentylamino)hexanoate?
The canonical SMILES for dodecyl 6-(5-aminopentylamino)hexanoate is CCCCCCCCCCCCOC(=O)CCCCCNCCCCCN.
What is the InChIKey of dodecyl 6-(5-aminopentylamino)hexanoate?
The InChIKey is FWZDDRMOXNZGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N2O2/c1-2-3-4-5-6-7-8-9-10-17-22-27-23(26)18-13-11-15-20-25-21-16-12-14-19-24/h25H,2-22,24H2,1H3.
What are the key properties of dodecyl 6-(5-aminopentylamino)hexanoate?
dodecyl 6-(5-aminopentylamino)hexanoate has a molecular weight of 384.65 g/mol, XLogP of 5.73, 22 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 6-(5-aminopentylamino)hexanoate is sourced from PubChem (CID 58105631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).