(2S,3S)-N-ethyl-N,3-dimethyl-2-(methylamino)pentanamide

C10H22N2O — CID 89069924

IUPAC(2S,3S)-N-ethyl-N,3-dimethyl-2-(methylamino)pentanamide
SMILESCC[C@H](C)[C@H](NC)C(=O)N(C)CC
InChIInChI=1S/C10H22N2O/c1-6-8(3)9(11-4)10(13)12(5)7-2/h8-9,11H,6-7H2,1-5H3/t8-,9-/m0/s1
InChIKeyKDVMQNQHUXUQMH-IUCAKERBSA-N
MW186.30 g/mol
LogP1.10
Rot. Bonds5

About (2S,3S)-N-ethyl-N,3-dimethyl-2-(methylamino)pentanamide

(2S,3S)-N-ethyl-N,3-dimethyl-2-(methylamino)pentanamide (PubChem CID 89069924) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (2S,3S)-N-ethyl-N,3-dimethyl-2-(methylamino)pentanamide.

Molecular Properties

Compound Name(2S,3S)-N-ethyl-N,3-dimethyl-2-(methylamino)pentanamide
PubChem CID89069924
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(2S,3S)-N-ethyl-N,3-dimethyl-2-(methylamino)pentanamide
SMILESCC[C@H](C)[C@H](NC)C(=O)N(C)CC
InChIInChI=1S/C10H22N2O/c1-6-8(3)9(11-4)10(13)12(5)7-2/h8-9,11H,6-7H2,1-5H3/t8-,9-/m0/s1
InChIKeyKDVMQNQHUXUQMH-IUCAKERBSA-N
XLogP1.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-3-methyl-2-(methylamino)pentanoic acid;hydrochloride
CID 122173693
N-ethyl-N,2-dimethylbutanamide
CID 89343843
N-ethyl-N-methyl-2-(propan-2-ylamino)propanamide
CID 103107904
(2S,3S)-N-[(3S)-4-deuterio-3-formyl-6-hydroxy-3-[2-hydroxypropyl(methyl)amino]-2-oxoheptyl]-N,3-dimethyl-2-(methylamino)pentanamide
CID 54477212
3-[[2-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid
CID 60989657
methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-methylbutanoate
CID 103108458
N-ethyl-N,2-dimethyl-3-oxobutanamide
CID 18683063
(2S,5S)-2,6-dimethyl-5-(methylamino)-4-oxooctanamide
CID 158124322
2-(1,1-difluoropropan-2-ylamino)-N-ethyl-N-methylpropanamide
CID 103107862
(2S)-3-methyl-2-[[methyl(2-methylbutyl)carbamoyl]amino]pentanoic acid
CID 61199113
2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61196445
N-ethyl-2-(hydroxymethyl)-N-methylbutanamide
CID 115186409

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-ethyl-N,3-dimethyl-2-(methylamino)pentanamide?
The IUPAC name of (2S,3S)-N-ethyl-N,3-dimethyl-2-(methylamino)pentanamide (CID 89069924) is (2S,3S)-N-ethyl-N,3-dimethyl-2-(methylamino)pentanamide.
What is the SMILES notation for (2S,3S)-N-ethyl-N,3-dimethyl-2-(methylamino)pentanamide?
The canonical SMILES for (2S,3S)-N-ethyl-N,3-dimethyl-2-(methylamino)pentanamide is CC[C@H](C)[C@H](NC)C(=O)N(C)CC.
What is the InChIKey of (2S,3S)-N-ethyl-N,3-dimethyl-2-(methylamino)pentanamide?
The InChIKey is KDVMQNQHUXUQMH-IUCAKERBSA-N. The full InChI is InChI=1S/C10H22N2O/c1-6-8(3)9(11-4)10(13)12(5)7-2/h8-9,11H,6-7H2,1-5H3/t8-,9-/m0/s1.
What are the key properties of (2S,3S)-N-ethyl-N,3-dimethyl-2-(methylamino)pentanamide?
(2S,3S)-N-ethyl-N,3-dimethyl-2-(methylamino)pentanamide has a molecular weight of 186.30 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-ethyl-N,3-dimethyl-2-(methylamino)pentanamide is sourced from PubChem (CID 89069924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).