(2S)-2,6-diamino-N,N-diethylhexanamide;dihydrochloride

C10H25Cl2N3O — CID 139830287

IUPAC(2S)-2,6-diamino-N,N-diethylhexanamide;dihydrochloride
SMILESCCN(CC)C(=O)[C@@H](N)CCCCN.Cl.Cl
InChIInChI=1S/C10H23N3O.2ClH/c1-3-13(4-2)10(14)9(12)7-5-6-8-11;;/h9H,3-8,11-12H2,1-2H3;2*1H/t9-;;/m0../s1
InChIKeyFGJYULDMYRHQNC-WWPIYYJJSA-N
MW274.24 g/mol
LogP1.15
Rot. Bonds7

About (2S)-2,6-diamino-N,N-diethylhexanamide;dihydrochloride

(2S)-2,6-diamino-N,N-diethylhexanamide;dihydrochloride (PubChem CID 139830287) has the molecular formula C10H25Cl2N3O and a molecular weight of 274.24 g/mol. Its IUPAC name is (2S)-2,6-diamino-N,N-diethylhexanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2,6-diamino-N,N-diethylhexanamide;dihydrochloride
PubChem CID139830287
Molecular FormulaC10H25Cl2N3O
Molecular Weight274.24 g/mol
Exact Mass273.14
IUPAC Name(2S)-2,6-diamino-N,N-diethylhexanamide;dihydrochloride
SMILESCCN(CC)C(=O)[C@@H](N)CCCCN.Cl.Cl
InChIInChI=1S/C10H23N3O.2ClH/c1-3-13(4-2)10(14)9(12)7-5-6-8-11;;/h9H,3-8,11-12H2,1-2H3;2*1H/t9-;;/m0../s1
InChIKeyFGJYULDMYRHQNC-WWPIYYJJSA-N
XLogP1.15
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diamino-N,N-diethylhexanamide;dihydrochloride?
The IUPAC name of (2S)-2,6-diamino-N,N-diethylhexanamide;dihydrochloride (CID 139830287) is (2S)-2,6-diamino-N,N-diethylhexanamide;dihydrochloride.
What is the SMILES notation for (2S)-2,6-diamino-N,N-diethylhexanamide;dihydrochloride?
The canonical SMILES for (2S)-2,6-diamino-N,N-diethylhexanamide;dihydrochloride is CCN(CC)C(=O)[C@@H](N)CCCCN.Cl.Cl.
What is the InChIKey of (2S)-2,6-diamino-N,N-diethylhexanamide;dihydrochloride?
The InChIKey is FGJYULDMYRHQNC-WWPIYYJJSA-N. The full InChI is InChI=1S/C10H23N3O.2ClH/c1-3-13(4-2)10(14)9(12)7-5-6-8-11;;/h9H,3-8,11-12H2,1-2H3;2*1H/t9-;;/m0../s1.
What are the key properties of (2S)-2,6-diamino-N,N-diethylhexanamide;dihydrochloride?
(2S)-2,6-diamino-N,N-diethylhexanamide;dihydrochloride has a molecular weight of 274.24 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diamino-N,N-diethylhexanamide;dihydrochloride is sourced from PubChem (CID 139830287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).