(2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide

C14H33N5O — CID 11022527

IUPAC(2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide
SMILESNCCCCNCCCCNC(=O)[C@@H](N)CCCCN
InChIInChI=1S/C14H33N5O/c15-8-2-1-7-13(17)14(20)19-12-6-5-11-18-10-4-3-9-16/h13,18H,1-12,15-17H2,(H,19,20)/t13-/m0/s1
InChIKeyUXDOEBXDHGATJE-ZDUSSCGKSA-N
MW287.45 g/mol
LogP-0.33
Rot. Bonds14

About (2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide

(2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide (PubChem CID 11022527) has the molecular formula C14H33N5O and a molecular weight of 287.45 g/mol. Its IUPAC name is (2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide.

Molecular Properties

Compound Name(2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide
PubChem CID11022527
Molecular FormulaC14H33N5O
Molecular Weight287.45 g/mol
Exact Mass287.27
IUPAC Name(2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide
SMILESNCCCCNCCCCNC(=O)[C@@H](N)CCCCN
InChIInChI=1S/C14H33N5O/c15-8-2-1-7-13(17)14(20)19-12-6-5-11-18-10-4-3-9-16/h13,18H,1-12,15-17H2,(H,19,20)/t13-/m0/s1
InChIKeyUXDOEBXDHGATJE-ZDUSSCGKSA-N
XLogP-0.33
TPSA119.19 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 5-0.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide
CID 23400695
2,6-diamino-N-[10-(2,6-diaminohexanoylamino)decyl]hexanamide
CID 4011235
(2S)-2,6-diamino-N-[6-[[(2S)-2,6-diaminohexanoyl]amino]hexyl]hexanamide
CID 100984594
2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(butylamino)hexanamide
CID 23400711
(2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide
CID 57079658
(2S)-2,6-diamino-N-[(5S)-5-amino-6-oxoheptyl]hexanamide
CID 89285466
(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(octadecylamino)hexanamide
CID 11621214
(2R)-2,6-diamino-N-dodecylhexanamide
CID 10663029
(2S)-2,6-diamino-N-hexadecylhexanamide
CID 10595298
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(2-methylpropylamino)hexanamide
CID 88877305
2,5-diamino-N-[(5S)-5-amino-6-oxohexyl]pentanamide
CID 143981855
(2S)-2-amino-N-[4-(3-aminopropylamino)butyl]-5-(diaminomethylideneamino)pentanamide
CID 10881162

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide?
The IUPAC name of (2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide (CID 11022527) is (2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide.
What is the SMILES notation for (2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide?
The canonical SMILES for (2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide is NCCCCNCCCCNC(=O)[C@@H](N)CCCCN.
What is the InChIKey of (2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide?
The InChIKey is UXDOEBXDHGATJE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H33N5O/c15-8-2-1-7-13(17)14(20)19-12-6-5-11-18-10-4-3-9-16/h13,18H,1-12,15-17H2,(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide?
(2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide has a molecular weight of 287.45 g/mol, XLogP of -0.33, 14 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide is sourced from PubChem (CID 11022527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).