(2S)-2,6-diamino-N-(methoxymethyl)hexanamide

C8H19N3O2 — CID 166782111

IUPAC(2S)-2,6-diamino-N-(methoxymethyl)hexanamide
SMILESCOCNC(=O)[C@@H](N)CCCCN
InChIInChI=1S/C8H19N3O2/c1-13-6-11-8(12)7(10)4-2-3-5-9/h7H,2-6,9-10H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyWJMADZOFVHKADK-ZETCQYMHSA-N
MW189.26 g/mol
LogP-0.84
Rot. Bonds7

About (2S)-2,6-diamino-N-(methoxymethyl)hexanamide

(2S)-2,6-diamino-N-(methoxymethyl)hexanamide (PubChem CID 166782111) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is (2S)-2,6-diamino-N-(methoxymethyl)hexanamide.

Molecular Properties

Compound Name(2S)-2,6-diamino-N-(methoxymethyl)hexanamide
PubChem CID166782111
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC Name(2S)-2,6-diamino-N-(methoxymethyl)hexanamide
SMILESCOCNC(=O)[C@@H](N)CCCCN
InChIInChI=1S/C8H19N3O2/c1-13-6-11-8(12)7(10)4-2-3-5-9/h7H,2-6,9-10H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyWJMADZOFVHKADK-ZETCQYMHSA-N
XLogP-0.84
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide
CID 57079658
(2S)-2,6-diamino-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 141222319
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)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide
CID 11022527
3-(2,6-diaminohexanoylamino)propanoate;dihydrochloride
CID 18763805
(2S)-2,6-diamino-N-[(5S)-5-amino-6-oxoheptyl]hexanamide
CID 89285466
2,6-diamino-N-prop-2-ynylhexanamide
CID 118953139
2-amino-N-(3-aminopropyl)-4-methoxybutanamide
CID 62477474
methyl 5-[[(2S)-2,6-diaminohexanoyl]amino]-4-oxopentanoate
CID 10649088
3-[[(2S)-2,6-diaminohexanoyl]amino]propanoic acid;dihydrochloride
CID 87503662
(2R)-2,6-diamino-N-dodecylhexanamide
CID 10663029

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diamino-N-(methoxymethyl)hexanamide?
The IUPAC name of (2S)-2,6-diamino-N-(methoxymethyl)hexanamide (CID 166782111) is (2S)-2,6-diamino-N-(methoxymethyl)hexanamide.
What is the SMILES notation for (2S)-2,6-diamino-N-(methoxymethyl)hexanamide?
The canonical SMILES for (2S)-2,6-diamino-N-(methoxymethyl)hexanamide is COCNC(=O)[C@@H](N)CCCCN.
What is the InChIKey of (2S)-2,6-diamino-N-(methoxymethyl)hexanamide?
The InChIKey is WJMADZOFVHKADK-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-13-6-11-8(12)7(10)4-2-3-5-9/h7H,2-6,9-10H2,1H3,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-2,6-diamino-N-(methoxymethyl)hexanamide?
(2S)-2,6-diamino-N-(methoxymethyl)hexanamide has a molecular weight of 189.26 g/mol, XLogP of -0.84, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diamino-N-(methoxymethyl)hexanamide is sourced from PubChem (CID 166782111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).