(2S)-6-amino-2-(ethylamino)hexanamide

C8H19N3O — CID 90248692

IUPAC(2S)-6-amino-2-(ethylamino)hexanamide
SMILESCCN[C@@H](CCCCN)C(N)=O
InChIInChI=1S/C8H19N3O/c1-2-11-7(8(10)12)5-3-4-6-9/h7,11H,2-6,9H2,1H3,(H2,10,12)/t7-/m0/s1
InChIKeyIKDVRJLCJAZWPJ-ZETCQYMHSA-N
MW173.26 g/mol
LogP-0.42
Rot. Bonds7

About (2S)-6-amino-2-(ethylamino)hexanamide

(2S)-6-amino-2-(ethylamino)hexanamide (PubChem CID 90248692) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is (2S)-6-amino-2-(ethylamino)hexanamide.

Molecular Properties

Compound Name(2S)-6-amino-2-(ethylamino)hexanamide
PubChem CID90248692
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name(2S)-6-amino-2-(ethylamino)hexanamide
SMILESCCN[C@@H](CCCCN)C(N)=O
InChIInChI=1S/C8H19N3O/c1-2-11-7(8(10)12)5-3-4-6-9/h7,11H,2-6,9H2,1H3,(H2,10,12)/t7-/m0/s1
InChIKeyIKDVRJLCJAZWPJ-ZETCQYMHSA-N
XLogP-0.42
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-2-(ethylamino)hexanoic acid;dihydrochloride
CID 175594704
8-amino-4-(ethylamino)octan-3-one
CID 20755672
acetic acid;(2S)-6-amino-2-(ethylamino)hexanoic acid
CID 162326558
(2R)-5-amino-2-(ethylamino)pentanoic acid
CID 143752846
6-amino-2-(tert-butylamino)hexanamide
CID 138534378
(2S)-2-acetamido-6-aminohexanamide
CID 7021885
6-amino-2-(butan-2-ylamino)hexanamide
CID 129101574
2-acetamido-6-aminohexanamide;hydrochloride
CID 74765100
5-azido-2-(ethylamino)pentanamide
CID 166997147
2-(propylamino)nonanamide
CID 60796532
2-(ethylamino)-6-methyl-5-oxoheptanamide
CID 174355389
2-(propylamino)octanamide
CID 60795649

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-(ethylamino)hexanamide?
The IUPAC name of (2S)-6-amino-2-(ethylamino)hexanamide (CID 90248692) is (2S)-6-amino-2-(ethylamino)hexanamide.
What is the SMILES notation for (2S)-6-amino-2-(ethylamino)hexanamide?
The canonical SMILES for (2S)-6-amino-2-(ethylamino)hexanamide is CCN[C@@H](CCCCN)C(N)=O.
What is the InChIKey of (2S)-6-amino-2-(ethylamino)hexanamide?
The InChIKey is IKDVRJLCJAZWPJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H19N3O/c1-2-11-7(8(10)12)5-3-4-6-9/h7,11H,2-6,9H2,1H3,(H2,10,12)/t7-/m0/s1.
What are the key properties of (2S)-6-amino-2-(ethylamino)hexanamide?
(2S)-6-amino-2-(ethylamino)hexanamide has a molecular weight of 173.26 g/mol, XLogP of -0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-(ethylamino)hexanamide is sourced from PubChem (CID 90248692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).