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

C15H33N3O5 — CID 141222319

IUPAC(2S)-2,6-diamino-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide
SMILESCOCCOCCOCCOCCNC(=O)[C@@H](N)CCCCN
InChIInChI=1S/C15H33N3O5/c1-20-8-9-22-12-13-23-11-10-21-7-6-18-15(19)14(17)4-2-3-5-16/h14H,2-13,16-17H2,1H3,(H,18,19)/t14-/m0/s1
InChIKeyYFOSVNWFTSTHNN-AWEZNQCLSA-N
MW335.45 g/mol
LogP-0.74
Rot. Bonds17

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

(2S)-2,6-diamino-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide (PubChem CID 141222319) has the molecular formula C15H33N3O5 and a molecular weight of 335.45 g/mol. Its IUPAC name is (2S)-2,6-diamino-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide.

Molecular Properties

Compound Name(2S)-2,6-diamino-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide
PubChem CID141222319
Molecular FormulaC15H33N3O5
Molecular Weight335.45 g/mol
Exact Mass335.24
IUPAC Name(2S)-2,6-diamino-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide
SMILESCOCCOCCOCCOCCNC(=O)[C@@H](N)CCCCN
InChIInChI=1S/C15H33N3O5/c1-20-8-9-22-12-13-23-11-10-21-7-6-18-15(19)14(17)4-2-3-5-16/h14H,2-13,16-17H2,1H3,(H,18,19)/t14-/m0/s1
InChIKeyYFOSVNWFTSTHNN-AWEZNQCLSA-N
XLogP-0.74
TPSA118.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-propoxyethoxy)ethyl]hexanamide
CID 58954613
(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-(methoxymethyl)hexanamide
CID 166782111
2-(2-methoxyethoxy)ethyl 2,6-diaminohexanoate
CID 162501240
2-amino-N-(3-aminopropyl)-4-methoxybutanamide
CID 62477474
2-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 81088978
(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
4-amino-5-[2-(2-methoxyethoxy)ethylamino]-5-oxopentanoic acid
CID 64890122
(2S)-2-amino-N-[2-(2-methoxyethoxy)ethyl]butanamide
CID 79023015
(2S)-2,6-diamino-N-[6-[[(2S)-2,6-diaminohexanoyl]amino]hexyl]hexanamide
CID 100984594

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diamino-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide?
The IUPAC name of (2S)-2,6-diamino-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide (CID 141222319) is (2S)-2,6-diamino-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide.
What is the SMILES notation for (2S)-2,6-diamino-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide?
The canonical SMILES for (2S)-2,6-diamino-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide is COCCOCCOCCOCCNC(=O)[C@@H](N)CCCCN.
What is the InChIKey of (2S)-2,6-diamino-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide?
The InChIKey is YFOSVNWFTSTHNN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H33N3O5/c1-20-8-9-22-12-13-23-11-10-21-7-6-18-15(19)14(17)4-2-3-5-16/h14H,2-13,16-17H2,1H3,(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-2,6-diamino-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide?
(2S)-2,6-diamino-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide has a molecular weight of 335.45 g/mol, XLogP of -0.74, 17 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diamino-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide is sourced from PubChem (CID 141222319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).