(2S)-2,6-diamino-N-[2-(2-propoxyethoxy)ethyl]hexanamide

C13H29N3O3 — CID 58954613

IUPAC(2S)-2,6-diamino-N-[2-(2-propoxyethoxy)ethyl]hexanamide
SMILESCCCOCCOCCNC(=O)[C@@H](N)CCCCN
InChIInChI=1S/C13H29N3O3/c1-2-8-18-10-11-19-9-7-16-13(17)12(15)5-3-4-6-14/h12H,2-11,14-15H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyZRIWQRUBWMDVFT-LBPRGKRZSA-N
MW275.39 g/mol
LogP0.00
Rot. Bonds13

About (2S)-2,6-diamino-N-[2-(2-propoxyethoxy)ethyl]hexanamide

(2S)-2,6-diamino-N-[2-(2-propoxyethoxy)ethyl]hexanamide (PubChem CID 58954613) has the molecular formula C13H29N3O3 and a molecular weight of 275.39 g/mol. Its IUPAC name is (2S)-2,6-diamino-N-[2-(2-propoxyethoxy)ethyl]hexanamide.

Molecular Properties

Compound Name(2S)-2,6-diamino-N-[2-(2-propoxyethoxy)ethyl]hexanamide
PubChem CID58954613
Molecular FormulaC13H29N3O3
Molecular Weight275.39 g/mol
Exact Mass275.22
IUPAC Name(2S)-2,6-diamino-N-[2-(2-propoxyethoxy)ethyl]hexanamide
SMILESCCCOCCOCCNC(=O)[C@@H](N)CCCCN
InChIInChI=1S/C13H29N3O3/c1-2-8-18-10-11-19-9-7-16-13(17)12(15)5-3-4-6-14/h12H,2-11,14-15H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyZRIWQRUBWMDVFT-LBPRGKRZSA-N
XLogP0.00
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2,6-diamino-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 141222319
(2S)-2,5-diamino-N-[2-(2-hydroxyethoxy)ethyl]pentanamide
CID 89199743
(2S)-2,5-diamino-N-[3-[2-[2-[2-[2-[3-[[(2S)-2,5-diaminopentanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]pentanamide
CID 138616287
(2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide
CID 57079658
(2S)-2,6-diamino-N-[3-[2-[2-[3-[3-[2-[2-[2-[2-[3-[3-[2-[2-[3-[[(2S)-2,6-diaminohexanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propyl]hexanamide
CID 86675712
(2R)-2,6-diamino-N-dodecylhexanamide
CID 10663029
(2S)-2,6-diamino-N-hexadecylhexanamide
CID 10595298
(2S)-2,6-diamino-N-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanamide
CID 101340237
(2S)-2,6-diamino-N-[2-[2-[(2R)-2-hydroxy-3-phenylmethoxypropoxy]ethoxy]ethyl]hexanamide
CID 139468187
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
2,6-diamino-N-[6-[[5-[2,6-bis(2,6-diaminohexanoylamino)hexanoylamino]-6-[2-[2-(2-ethyl-2-methylbutoxy)ethoxy]ethylamino]-6-oxohexyl]amino]-5-(2,6-diaminohexanoylamino)-6-oxohexyl]hexanamide
CID 147098057

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diamino-N-[2-(2-propoxyethoxy)ethyl]hexanamide?
The IUPAC name of (2S)-2,6-diamino-N-[2-(2-propoxyethoxy)ethyl]hexanamide (CID 58954613) is (2S)-2,6-diamino-N-[2-(2-propoxyethoxy)ethyl]hexanamide.
What is the SMILES notation for (2S)-2,6-diamino-N-[2-(2-propoxyethoxy)ethyl]hexanamide?
The canonical SMILES for (2S)-2,6-diamino-N-[2-(2-propoxyethoxy)ethyl]hexanamide is CCCOCCOCCNC(=O)[C@@H](N)CCCCN.
What is the InChIKey of (2S)-2,6-diamino-N-[2-(2-propoxyethoxy)ethyl]hexanamide?
The InChIKey is ZRIWQRUBWMDVFT-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H29N3O3/c1-2-8-18-10-11-19-9-7-16-13(17)12(15)5-3-4-6-14/h12H,2-11,14-15H2,1H3,(H,16,17)/t12-/m0/s1.
What are the key properties of (2S)-2,6-diamino-N-[2-(2-propoxyethoxy)ethyl]hexanamide?
(2S)-2,6-diamino-N-[2-(2-propoxyethoxy)ethyl]hexanamide has a molecular weight of 275.39 g/mol, XLogP of 0.00, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diamino-N-[2-(2-propoxyethoxy)ethyl]hexanamide is sourced from PubChem (CID 58954613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).