(2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]pentanamide

C12H27N3O — CID 103813226

IUPAC(2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]pentanamide
SMILESCCC[C@@H](N)C(=O)NCC(C)(C)CN(C)C
InChIInChI=1S/C12H27N3O/c1-6-7-10(13)11(16)14-8-12(2,3)9-15(4)5/h10H,6-9,13H2,1-5H3,(H,14,16)/t10-/m1/s1
InChIKeyBSDKZIMQHMXCOQ-SNVBAGLBSA-N
MW229.37 g/mol
LogP0.82
Rot. Bonds7

About (2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]pentanamide

(2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]pentanamide (PubChem CID 103813226) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]pentanamide
PubChem CID103813226
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name(2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]pentanamide
SMILESCCC[C@@H](N)C(=O)NCC(C)(C)CN(C)C
InChIInChI=1S/C12H27N3O/c1-6-7-10(13)11(16)14-8-12(2,3)9-15(4)5/h10H,6-9,13H2,1-5H3,(H,14,16)/t10-/m1/s1
InChIKeyBSDKZIMQHMXCOQ-SNVBAGLBSA-N
XLogP0.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybutanamide
CID 62474428
(2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(4-hydroxyphenyl)propanamide
CID 104904566
2-amino-N-(2,2-dimethylbutyl)hexanamide
CID 103461638
2-amino-N-propylpentanamide
CID 43649977
2-amino-N-(3,3-dimethylbutyl)pentanamide
CID 112687728
N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 59842400
ethyl 2-[[(2S)-2-aminopentanoyl]amino]acetate
CID 107568770
2-amino-N-(2,2-dimethylbutyl)butanamide
CID 103461499
2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]pentanamide
CID 119339882
(2R)-2-amino-N-(2,2-dimethylbutyl)-4-methylsulfanylbutanamide
CID 103461634
(2S)-2-amino-N-(2-methyl-2-phenylpropyl)pentanamide
CID 93398886
(2S)-2-amino-N-(2-hydroxyethyl)pentanamide
CID 89064333

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]pentanamide?
The IUPAC name of (2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]pentanamide (CID 103813226) is (2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]pentanamide?
The canonical SMILES for (2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]pentanamide is CCC[C@@H](N)C(=O)NCC(C)(C)CN(C)C.
What is the InChIKey of (2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]pentanamide?
The InChIKey is BSDKZIMQHMXCOQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H27N3O/c1-6-7-10(13)11(16)14-8-12(2,3)9-15(4)5/h10H,6-9,13H2,1-5H3,(H,14,16)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]pentanamide?
(2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]pentanamide has a molecular weight of 229.37 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]pentanamide is sourced from PubChem (CID 103813226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).