(2R)-2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pentanamide

C12H27N3O — CID 103813848

IUPAC(2R)-2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pentanamide
SMILESCCC[C@@H](N)C(=O)NC(CN(C)C)C(C)C
InChIInChI=1S/C12H27N3O/c1-6-7-10(13)12(16)14-11(9(2)3)8-15(4)5/h9-11H,6-8,13H2,1-5H3,(H,14,16)/t10-,11?/m1/s1
InChIKeyCJMIPMOHXHCCRT-NFJWQWPMSA-N
MW229.37 g/mol
LogP0.82
Rot. Bonds7

About (2R)-2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pentanamide

(2R)-2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pentanamide (PubChem CID 103813848) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pentanamide
PubChem CID103813848
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name(2R)-2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pentanamide
SMILESCCC[C@@H](N)C(=O)NC(CN(C)C)C(C)C
InChIInChI=1S/C12H27N3O/c1-6-7-10(13)12(16)14-11(9(2)3)8-15(4)5/h9-11H,6-8,13H2,1-5H3,(H,14,16)/t10-,11?/m1/s1
InChIKeyCJMIPMOHXHCCRT-NFJWQWPMSA-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-[(2S)-1-hydroxy-3-methylbutan-2-yl]pentanamide
CID 79249157
3-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoic acid
CID 107570372
2-amino-N-(3-methylbutan-2-yl)pentanamide
CID 43650228
(2R)-2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-(4-hydroxyphenyl)propanamide
CID 104905021
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(methylamino)propanamide
CID 62639532
(2R)-2-amino-N-[1-(diethylamino)propan-2-yl]pentanamide
CID 103814036
2-amino-3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]propanamide
CID 103245104
methyl (2S)-2-[[(2R)-2-aminopentanoyl]amino]-3-methylbutanoate
CID 107568571
(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]butanamide
CID 82945905
(2R)-2-amino-N-[1-(methylamino)-1-oxopropan-2-yl]pentanamide
CID 103795688
(2S)-2-amino-N-hexan-3-ylpentanamide
CID 107569552
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetic acid
CID 61479125

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pentanamide?
The IUPAC name of (2R)-2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pentanamide (CID 103813848) is (2R)-2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pentanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pentanamide?
The canonical SMILES for (2R)-2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pentanamide is CCC[C@@H](N)C(=O)NC(CN(C)C)C(C)C.
What is the InChIKey of (2R)-2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pentanamide?
The InChIKey is CJMIPMOHXHCCRT-NFJWQWPMSA-N. The full InChI is InChI=1S/C12H27N3O/c1-6-7-10(13)12(16)14-11(9(2)3)8-15(4)5/h9-11H,6-8,13H2,1-5H3,(H,14,16)/t10-,11?/m1/s1.
What are the key properties of (2R)-2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pentanamide?
(2R)-2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]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-[1-(dimethylamino)-3-methylbutan-2-yl]pentanamide is sourced from PubChem (CID 103813848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).