(2S)-2,6-diamino-N-(2-morpholin-4-ylethyl)hexanamide

C12H26N4O2 — CID 131845980

IUPAC(2S)-2,6-diamino-N-(2-morpholin-4-ylethyl)hexanamide
SMILESNCCCC[C@H](N)C(=O)NCCN1CCOCC1
InChIInChI=1S/C12H26N4O2/c13-4-2-1-3-11(14)12(17)15-5-6-16-7-9-18-10-8-16/h11H,1-10,13-14H2,(H,15,17)/t11-/m0/s1
InChIKeyBECDMWXYXWSYKV-NSHDSACASA-N
MW258.37 g/mol
LogP-1.11
Rot. Bonds8

About (2S)-2,6-diamino-N-(2-morpholin-4-ylethyl)hexanamide

(2S)-2,6-diamino-N-(2-morpholin-4-ylethyl)hexanamide (PubChem CID 131845980) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is (2S)-2,6-diamino-N-(2-morpholin-4-ylethyl)hexanamide.

Molecular Properties

Compound Name(2S)-2,6-diamino-N-(2-morpholin-4-ylethyl)hexanamide
PubChem CID131845980
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC Name(2S)-2,6-diamino-N-(2-morpholin-4-ylethyl)hexanamide
SMILESNCCCC[C@H](N)C(=O)NCCN1CCOCC1
InChIInChI=1S/C12H26N4O2/c13-4-2-1-3-11(14)12(17)15-5-6-16-7-9-18-10-8-16/h11H,1-10,13-14H2,(H,15,17)/t11-/m0/s1
InChIKeyBECDMWXYXWSYKV-NSHDSACASA-N
XLogP-1.11
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-2,6-diamino-N-(2-morpholin-4-ylethyl)hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-(3-morpholin-4-ylpropyl)hexanamide
CID 93339966
(2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide
CID 57079658
2-amino-N-(2-morpholin-4-ylethyl)propanamide;dihydrochloride
CID 119827782
6-amino-N-(2-morpholin-4-ylethyl)hexanamide
CID 24707853
2-amino-5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pentanamide
CID 126595681
(2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 104983793
(2R)-2-amino-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
CID 83300699
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
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
CID 61148304
2-amino-3-ethyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 67174978
2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]hexanamide
CID 54860791

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diamino-N-(2-morpholin-4-ylethyl)hexanamide?
The IUPAC name of (2S)-2,6-diamino-N-(2-morpholin-4-ylethyl)hexanamide (CID 131845980) is (2S)-2,6-diamino-N-(2-morpholin-4-ylethyl)hexanamide.
What is the SMILES notation for (2S)-2,6-diamino-N-(2-morpholin-4-ylethyl)hexanamide?
The canonical SMILES for (2S)-2,6-diamino-N-(2-morpholin-4-ylethyl)hexanamide is NCCCC[C@H](N)C(=O)NCCN1CCOCC1.
What is the InChIKey of (2S)-2,6-diamino-N-(2-morpholin-4-ylethyl)hexanamide?
The InChIKey is BECDMWXYXWSYKV-NSHDSACASA-N. The full InChI is InChI=1S/C12H26N4O2/c13-4-2-1-3-11(14)12(17)15-5-6-16-7-9-18-10-8-16/h11H,1-10,13-14H2,(H,15,17)/t11-/m0/s1.
What are the key properties of (2S)-2,6-diamino-N-(2-morpholin-4-ylethyl)hexanamide?
(2S)-2,6-diamino-N-(2-morpholin-4-ylethyl)hexanamide has a molecular weight of 258.37 g/mol, XLogP of -1.11, 8 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-morpholin-4-ylethyl)hexanamide is sourced from PubChem (CID 131845980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).