(5S)-5-amino-15-(3-aminopropylamino)-1-(hexylamino)pentadecan-6-one

C24H52N4O — CID 58260284

IUPAC(5S)-5-amino-15-(3-aminopropylamino)-1-(hexylamino)pentadecan-6-one
SMILESCCCCCCNCCCC[C@H](N)C(=O)CCCCCCCCCNCCCN
InChIInChI=1S/C24H52N4O/c1-2-3-4-12-19-27-21-14-11-16-23(26)24(29)17-10-8-6-5-7-9-13-20-28-22-15-18-25/h23,27-28H,2-22,25-26H2,1H3/t23-/m0/s1
InChIKeyLWXZEBOPAMGHQZ-QHCPKHFHSA-N
MW412.71 g/mol
LogP4.28
Rot. Bonds24

About (5S)-5-amino-15-(3-aminopropylamino)-1-(hexylamino)pentadecan-6-one

(5S)-5-amino-15-(3-aminopropylamino)-1-(hexylamino)pentadecan-6-one (PubChem CID 58260284) has the molecular formula C24H52N4O and a molecular weight of 412.71 g/mol. Its IUPAC name is (5S)-5-amino-15-(3-aminopropylamino)-1-(hexylamino)pentadecan-6-one.

Molecular Properties

Compound Name(5S)-5-amino-15-(3-aminopropylamino)-1-(hexylamino)pentadecan-6-one
PubChem CID58260284
Molecular FormulaC24H52N4O
Molecular Weight412.71 g/mol
Exact Mass412.41
IUPAC Name(5S)-5-amino-15-(3-aminopropylamino)-1-(hexylamino)pentadecan-6-one
SMILESCCCCCCNCCCC[C@H](N)C(=O)CCCCCCCCCNCCCN
InChIInChI=1S/C24H52N4O/c1-2-3-4-12-19-27-21-14-11-16-23(26)24(29)17-10-8-6-5-7-9-13-20-28-22-15-18-25/h23,27-28H,2-22,25-26H2,1H3/t23-/m0/s1
InChIKeyLWXZEBOPAMGHQZ-QHCPKHFHSA-N
XLogP4.28
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.71
LogP ≤ 54.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]butanamide
CID 58260252
N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]-2-methylpropanamide
CID 58260355
(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(octadecylamino)hexanamide
CID 11621214
2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(butylamino)hexanamide
CID 23400711
(2R)-2,6-diamino-N-dodecylhexanamide
CID 10663029
(2S)-2,6-diamino-N-hexadecylhexanamide
CID 10595298
N-[(5S)-5-amino-6-[3-[4-(butylamino)butylamino]propylamino]-6-oxohexyl]octanamide
CID 159397437
N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]cyclohexanecarboxamide
CID 58260226
(2S)-2-amino-6-[[(2S,9S)-2,9,13-triamino-8-oxotridecanoyl]amino]hexanoic acid
CID 58195957
methyl (2S)-2,6-diamino-7-oxoicosanoate
CID 163979090
2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide
CID 23400695
(2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide
CID 11022527

Frequently Asked Questions

What is the IUPAC name of (5S)-5-amino-15-(3-aminopropylamino)-1-(hexylamino)pentadecan-6-one?
The IUPAC name of (5S)-5-amino-15-(3-aminopropylamino)-1-(hexylamino)pentadecan-6-one (CID 58260284) is (5S)-5-amino-15-(3-aminopropylamino)-1-(hexylamino)pentadecan-6-one.
What is the SMILES notation for (5S)-5-amino-15-(3-aminopropylamino)-1-(hexylamino)pentadecan-6-one?
The canonical SMILES for (5S)-5-amino-15-(3-aminopropylamino)-1-(hexylamino)pentadecan-6-one is CCCCCCNCCCC[C@H](N)C(=O)CCCCCCCCCNCCCN.
What is the InChIKey of (5S)-5-amino-15-(3-aminopropylamino)-1-(hexylamino)pentadecan-6-one?
The InChIKey is LWXZEBOPAMGHQZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H52N4O/c1-2-3-4-12-19-27-21-14-11-16-23(26)24(29)17-10-8-6-5-7-9-13-20-28-22-15-18-25/h23,27-28H,2-22,25-26H2,1H3/t23-/m0/s1.
What are the key properties of (5S)-5-amino-15-(3-aminopropylamino)-1-(hexylamino)pentadecan-6-one?
(5S)-5-amino-15-(3-aminopropylamino)-1-(hexylamino)pentadecan-6-one has a molecular weight of 412.71 g/mol, XLogP of 4.28, 24 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-amino-15-(3-aminopropylamino)-1-(hexylamino)pentadecan-6-one is sourced from PubChem (CID 58260284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).