(2R)-2-amino-N-[1-(diethylamino)propan-2-yl]pentanamide

C12H27N3O — CID 103814036

IUPAC(2R)-2-amino-N-[1-(diethylamino)propan-2-yl]pentanamide
SMILESCCC[C@@H](N)C(=O)NC(C)CN(CC)CC
InChIInChI=1S/C12H27N3O/c1-5-8-11(13)12(16)14-10(4)9-15(6-2)7-3/h10-11H,5-9,13H2,1-4H3,(H,14,16)/t10?,11-/m1/s1
InChIKeyMMCWRZDXTYYGDP-RRKGBCIJSA-N
MW229.37 g/mol
LogP0.96
Rot. Bonds8

About (2R)-2-amino-N-[1-(diethylamino)propan-2-yl]pentanamide

(2R)-2-amino-N-[1-(diethylamino)propan-2-yl]pentanamide (PubChem CID 103814036) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(diethylamino)propan-2-yl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(diethylamino)propan-2-yl]pentanamide
PubChem CID103814036
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name(2R)-2-amino-N-[1-(diethylamino)propan-2-yl]pentanamide
SMILESCCC[C@@H](N)C(=O)NC(C)CN(CC)CC
InChIInChI=1S/C12H27N3O/c1-5-8-11(13)12(16)14-10(4)9-15(6-2)7-3/h10-11H,5-9,13H2,1-4H3,(H,14,16)/t10?,11-/m1/s1
InChIKeyMMCWRZDXTYYGDP-RRKGBCIJSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-ethylsulfonylpropan-2-yl)pentanamide
CID 119325448
2-amino-N-[1-(diethylamino)propan-2-yl]-3-phenylpropanamide;dihydrochloride
CID 119860539
2-amino-N-pent-4-en-2-ylpentanamide
CID 115734589
2-amino-N-(3-methylbutan-2-yl)pentanamide
CID 43650228
N-[1-(diethylamino)propan-2-yl]-2-methyl-3-(methylamino)propanamide
CID 79202231
(2R)-2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pentanamide
CID 103813848
(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-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pentanamide
CID 79249157
(2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)pentanamide
CID 107568307
(2R)-2-amino-N-octan-4-ylpentanamide
CID 103797903

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(diethylamino)propan-2-yl]pentanamide?
The IUPAC name of (2R)-2-amino-N-[1-(diethylamino)propan-2-yl]pentanamide (CID 103814036) is (2R)-2-amino-N-[1-(diethylamino)propan-2-yl]pentanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-(diethylamino)propan-2-yl]pentanamide?
The canonical SMILES for (2R)-2-amino-N-[1-(diethylamino)propan-2-yl]pentanamide is CCC[C@@H](N)C(=O)NC(C)CN(CC)CC.
What is the InChIKey of (2R)-2-amino-N-[1-(diethylamino)propan-2-yl]pentanamide?
The InChIKey is MMCWRZDXTYYGDP-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H27N3O/c1-5-8-11(13)12(16)14-10(4)9-15(6-2)7-3/h10-11H,5-9,13H2,1-4H3,(H,14,16)/t10?,11-/m1/s1.
What are the key properties of (2R)-2-amino-N-[1-(diethylamino)propan-2-yl]pentanamide?
(2R)-2-amino-N-[1-(diethylamino)propan-2-yl]pentanamide has a molecular weight of 229.37 g/mol, XLogP of 0.96, 8 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-(diethylamino)propan-2-yl]pentanamide is sourced from PubChem (CID 103814036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).