6-amino-2-(tert-butylamino)hexanamide

C10H23N3O — CID 138534378

IUPAC6-amino-2-(tert-butylamino)hexanamide
SMILESCC(C)(C)NC(CCCCN)C(N)=O
InChIInChI=1S/C10H23N3O/c1-10(2,3)13-8(9(12)14)6-4-5-7-11/h8,13H,4-7,11H2,1-3H3,(H2,12,14)
InChIKeyGQUOYPHIUGXOQR-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.36
Rot. Bonds6

About 6-amino-2-(tert-butylamino)hexanamide

6-amino-2-(tert-butylamino)hexanamide (PubChem CID 138534378) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 6-amino-2-(tert-butylamino)hexanamide.

Molecular Properties

Compound Name6-amino-2-(tert-butylamino)hexanamide
PubChem CID138534378
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name6-amino-2-(tert-butylamino)hexanamide
SMILESCC(C)(C)NC(CCCCN)C(N)=O
InChIInChI=1S/C10H23N3O/c1-10(2,3)13-8(9(12)14)6-4-5-7-11/h8,13H,4-7,11H2,1-3H3,(H2,12,14)
InChIKeyGQUOYPHIUGXOQR-UHFFFAOYSA-N
XLogP0.36
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.36
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

7-amino-3-(tert-butylamino)heptan-2-one
CID 89488673
(4S)-8-amino-4-(tert-butylamino)-2-methyloctan-3-one
CID 177276653
(2R)-2-(tert-butylamino)-3-hydroxypropanamide
CID 87261665
(2S)-2-acetamido-6-aminohexanamide
CID 7021885
(2S)-6-amino-2-(ethylamino)hexanamide
CID 90248692
2-acetamido-6-aminohexanamide;hydrochloride
CID 74765100
8-amino-4-(aminomethylamino)-2,2-dimethyloctan-3-one
CID 170794418
6-amino-2-(butan-2-ylamino)hexanamide
CID 129101574
6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide
CID 89335377
CID 171042672
CID 171042672
7-amino-3-(methylamino)heptan-2-one;ethane
CID 153401274
(2S)-2-(tert-butylamino)-4-cyclohexylbutanamide
CID 122595251

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(tert-butylamino)hexanamide?
The IUPAC name of 6-amino-2-(tert-butylamino)hexanamide (CID 138534378) is 6-amino-2-(tert-butylamino)hexanamide.
What is the SMILES notation for 6-amino-2-(tert-butylamino)hexanamide?
The canonical SMILES for 6-amino-2-(tert-butylamino)hexanamide is CC(C)(C)NC(CCCCN)C(N)=O.
What is the InChIKey of 6-amino-2-(tert-butylamino)hexanamide?
The InChIKey is GQUOYPHIUGXOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-10(2,3)13-8(9(12)14)6-4-5-7-11/h8,13H,4-7,11H2,1-3H3,(H2,12,14).
What are the key properties of 6-amino-2-(tert-butylamino)hexanamide?
6-amino-2-(tert-butylamino)hexanamide has a molecular weight of 201.31 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(tert-butylamino)hexanamide is sourced from PubChem (CID 138534378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).