(2R)-2-amino-N-hex-5-ynyl-3,3-dimethylbutanamide

C12H22N2O — CID 106213078

IUPAC(2R)-2-amino-N-hex-5-ynyl-3,3-dimethylbutanamide
SMILESC#CCCCCNC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C12H22N2O/c1-5-6-7-8-9-14-11(15)10(13)12(2,3)4/h1,10H,6-9,13H2,2-4H3,(H,14,15)/t10-/m0/s1
InChIKeyBIPJGLNBLSSQPV-JTQLQIEISA-N
MW210.32 g/mol
LogP1.28
Rot. Bonds5

About (2R)-2-amino-N-hex-5-ynyl-3,3-dimethylbutanamide

(2R)-2-amino-N-hex-5-ynyl-3,3-dimethylbutanamide (PubChem CID 106213078) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (2R)-2-amino-N-hex-5-ynyl-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-hex-5-ynyl-3,3-dimethylbutanamide
PubChem CID106213078
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(2R)-2-amino-N-hex-5-ynyl-3,3-dimethylbutanamide
SMILESC#CCCCCNC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C12H22N2O/c1-5-6-7-8-9-14-11(15)10(13)12(2,3)4/h1,10H,6-9,13H2,2-4H3,(H,14,15)/t10-/m0/s1
InChIKeyBIPJGLNBLSSQPV-JTQLQIEISA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 103929631
2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 76897344
2-amino-N-hex-5-ynylbutanamide
CID 103950447
(2R)-2-amino-N-hex-5-ynylpentanamide
CID 106213082
3-amino-N-hex-5-ynylpentanamide
CID 106213039
2-bromo-N-hex-5-ynylpropanamide
CID 106211130
(2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide
CID 103929431
(2S)-2-amino-N-(4-methoxybutyl)-3,3-dimethylbutanamide;hydrochloride
CID 119722377
N-hex-5-ynyl-3,3-dimethylbutanamide
CID 103758094
(2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide
CID 82671375
2-amino-3,3-dimethyl-N-pent-3-ynylbutanamide
CID 116644023
(2R)-2-amino-N-(3-cyclopropylpropyl)-3,3-dimethylbutanamide
CID 104876667

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-hex-5-ynyl-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-hex-5-ynyl-3,3-dimethylbutanamide (CID 106213078) is (2R)-2-amino-N-hex-5-ynyl-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-hex-5-ynyl-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-hex-5-ynyl-3,3-dimethylbutanamide is C#CCCCCNC(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of (2R)-2-amino-N-hex-5-ynyl-3,3-dimethylbutanamide?
The InChIKey is BIPJGLNBLSSQPV-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-6-7-8-9-14-11(15)10(13)12(2,3)4/h1,10H,6-9,13H2,2-4H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (2R)-2-amino-N-hex-5-ynyl-3,3-dimethylbutanamide?
(2R)-2-amino-N-hex-5-ynyl-3,3-dimethylbutanamide has a molecular weight of 210.32 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-hex-5-ynyl-3,3-dimethylbutanamide is sourced from PubChem (CID 106213078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).