(2S)-N-formyl-N,4-dimethyl-2-(methylamino)pentanamide

C9H18N2O2 — CID 135143266

IUPAC(2S)-N-formyl-N,4-dimethyl-2-(methylamino)pentanamide
SMILESCN[C@@H](CC(C)C)C(=O)N(C)C=O
InChIInChI=1S/C9H18N2O2/c1-7(2)5-8(10-3)9(13)11(4)6-12/h6-8,10H,5H2,1-4H3/t8-/m0/s1
InChIKeyGIFWMPHRXDKXJV-QMMMGPOBSA-N
MW186.25 g/mol
LogP0.24
Rot. Bonds5

About (2S)-N-formyl-N,4-dimethyl-2-(methylamino)pentanamide

(2S)-N-formyl-N,4-dimethyl-2-(methylamino)pentanamide (PubChem CID 135143266) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S)-N-formyl-N,4-dimethyl-2-(methylamino)pentanamide.

Molecular Properties

Compound Name(2S)-N-formyl-N,4-dimethyl-2-(methylamino)pentanamide
PubChem CID135143266
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2S)-N-formyl-N,4-dimethyl-2-(methylamino)pentanamide
SMILESCN[C@@H](CC(C)C)C(=O)N(C)C=O
InChIInChI=1S/C9H18N2O2/c1-7(2)5-8(10-3)9(13)11(4)6-12/h6-8,10H,5H2,1-4H3/t8-/m0/s1
InChIKeyGIFWMPHRXDKXJV-QMMMGPOBSA-N
XLogP0.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N,N',4-trimethyl-2-(methylamino)pentanehydrazide
CID 50994387
(2S)-N-[(2S)-7-hydroxy-4-methyl-1-oxooctan-2-yl]-N,4-dimethyl-2-(methylamino)pentanamide
CID 57029515
(2S)-N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-methylamino]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-2-(methylamino)pentanamide
CID 122467702
(2S)-2-[hydroxy(methyl)amino]-4-methylpentanoic acid;(2S)-4-methyl-2-(methylamino)pentanoic acid
CID 87981029
(2R)-4-methyl-2-(methylamino)pentanamide
CID 89050865
N,4-dimethyl-2-(methylamino)pentanamide
CID 72516454
(2S)-4-methyl-2-(methylamino)-N-(2-oxoethyl)pentanamide
CID 155260422
methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride
CID 75487996
tert-butyl (2R)-3-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate
CID 10805237
N-ethyl-4-methyl-2-(methylamino)pentanamide
CID 155260519
4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one
CID 118582646
N-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methyl-2-(methylamino)pentanamide
CID 25061548

Frequently Asked Questions

What is the IUPAC name of (2S)-N-formyl-N,4-dimethyl-2-(methylamino)pentanamide?
The IUPAC name of (2S)-N-formyl-N,4-dimethyl-2-(methylamino)pentanamide (CID 135143266) is (2S)-N-formyl-N,4-dimethyl-2-(methylamino)pentanamide.
What is the SMILES notation for (2S)-N-formyl-N,4-dimethyl-2-(methylamino)pentanamide?
The canonical SMILES for (2S)-N-formyl-N,4-dimethyl-2-(methylamino)pentanamide is CN[C@@H](CC(C)C)C(=O)N(C)C=O.
What is the InChIKey of (2S)-N-formyl-N,4-dimethyl-2-(methylamino)pentanamide?
The InChIKey is GIFWMPHRXDKXJV-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(2)5-8(10-3)9(13)11(4)6-12/h6-8,10H,5H2,1-4H3/t8-/m0/s1.
What are the key properties of (2S)-N-formyl-N,4-dimethyl-2-(methylamino)pentanamide?
(2S)-N-formyl-N,4-dimethyl-2-(methylamino)pentanamide has a molecular weight of 186.25 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-formyl-N,4-dimethyl-2-(methylamino)pentanamide is sourced from PubChem (CID 135143266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).