(2S)-2,6-diamino-1-[4-(pentadecylamino)piperidin-1-yl]hexan-1-one

C26H54N4O — CID 44592860

IUPAC(2S)-2,6-diamino-1-[4-(pentadecylamino)piperidin-1-yl]hexan-1-one
SMILESCCCCCCCCCCCCCCCNC1CCN(C(=O)[C@@H](N)CCCCN)CC1
InChIInChI=1S/C26H54N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-29-24-18-22-30(23-19-24)26(31)25(28)17-14-15-20-27/h24-25,29H,2-23,27-28H2,1H3/t25-/m0/s1
InChIKeyTYADFLAJOJOPBC-VWLOTQADSA-N
MW438.75 g/mol
LogP5.11
Rot. Bonds20

About (2S)-2,6-diamino-1-[4-(pentadecylamino)piperidin-1-yl]hexan-1-one

(2S)-2,6-diamino-1-[4-(pentadecylamino)piperidin-1-yl]hexan-1-one (PubChem CID 44592860) has the molecular formula C26H54N4O and a molecular weight of 438.75 g/mol. Its IUPAC name is (2S)-2,6-diamino-1-[4-(pentadecylamino)piperidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name(2S)-2,6-diamino-1-[4-(pentadecylamino)piperidin-1-yl]hexan-1-one
PubChem CID44592860
Molecular FormulaC26H54N4O
Molecular Weight438.75 g/mol
Exact Mass438.43
IUPAC Name(2S)-2,6-diamino-1-[4-(pentadecylamino)piperidin-1-yl]hexan-1-one
SMILESCCCCCCCCCCCCCCCNC1CCN(C(=O)[C@@H](N)CCCCN)CC1
InChIInChI=1S/C26H54N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-29-24-18-22-30(23-19-24)26(31)25(28)17-14-15-20-27/h24-25,29H,2-23,27-28H2,1H3/t25-/m0/s1
InChIKeyTYADFLAJOJOPBC-VWLOTQADSA-N
XLogP5.11
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.75
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(R)-N-(5-Amino-6-((3-((4-((3-aminopropyl)amino)butyl)amino)propyl)amino)-6-oxohexyl)palmitamide
CID 10144565
(S)-N-(5-Amino-6-((3-((4-((3-aminopropyl)amino)butyl)amino)propyl)amino)-6-oxohexyl)palmitamide
CID 9916009
Budmunchiamine L4
CID 5315523
Lycetamine
CID 10595298
Hexanamide, 2,6-diamino-N-dodecyl-, (S)-
CID 10805166
Budmunchiamine A
CID 373662
Ori-1202
CID 9905576
(2S)-2,6-diamino-N-tetradecylhexanamide
CID 10664966
(2R)-2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide
CID 44572159
Budmunchiamine L5
CID 5315524
Budmunchiamine K
CID 10097795
1,9-Dimethyl-8-pentadecyl-1,5,9,13-tetrazacycloheptadecan-6-one
CID 10577160

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diamino-1-[4-(pentadecylamino)piperidin-1-yl]hexan-1-one?
The IUPAC name of (2S)-2,6-diamino-1-[4-(pentadecylamino)piperidin-1-yl]hexan-1-one (CID 44592860) is (2S)-2,6-diamino-1-[4-(pentadecylamino)piperidin-1-yl]hexan-1-one.
What is the SMILES notation for (2S)-2,6-diamino-1-[4-(pentadecylamino)piperidin-1-yl]hexan-1-one?
The canonical SMILES for (2S)-2,6-diamino-1-[4-(pentadecylamino)piperidin-1-yl]hexan-1-one is CCCCCCCCCCCCCCCNC1CCN(C(=O)[C@@H](N)CCCCN)CC1.
What is the InChIKey of (2S)-2,6-diamino-1-[4-(pentadecylamino)piperidin-1-yl]hexan-1-one?
The InChIKey is TYADFLAJOJOPBC-VWLOTQADSA-N. The full InChI is InChI=1S/C26H54N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-29-24-18-22-30(23-19-24)26(31)25(28)17-14-15-20-27/h24-25,29H,2-23,27-28H2,1H3/t25-/m0/s1.
What are the key properties of (2S)-2,6-diamino-1-[4-(pentadecylamino)piperidin-1-yl]hexan-1-one?
(2S)-2,6-diamino-1-[4-(pentadecylamino)piperidin-1-yl]hexan-1-one has a molecular weight of 438.75 g/mol, XLogP of 5.11, 20 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diamino-1-[4-(pentadecylamino)piperidin-1-yl]hexan-1-one is sourced from PubChem (CID 44592860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).