(2S)-N,N',4-trimethyl-2-(methylamino)pentanehydrazide

C9H21N3O — CID 50994387

IUPAC(2S)-N,N',4-trimethyl-2-(methylamino)pentanehydrazide
SMILESCN[C@@H](CC(C)C)C(=O)N(C)NC
InChIInChI=1S/C9H21N3O/c1-7(2)6-8(10-3)9(13)12(5)11-4/h7-8,10-11H,6H2,1-5H3/t8-/m0/s1
InChIKeyRNFGFPVBVNJMKA-QMMMGPOBSA-N
MW187.29 g/mol
LogP0.21
Rot. Bonds5

About (2S)-N,N',4-trimethyl-2-(methylamino)pentanehydrazide

(2S)-N,N',4-trimethyl-2-(methylamino)pentanehydrazide (PubChem CID 50994387) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is (2S)-N,N',4-trimethyl-2-(methylamino)pentanehydrazide.

Molecular Properties

Compound Name(2S)-N,N',4-trimethyl-2-(methylamino)pentanehydrazide
PubChem CID50994387
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name(2S)-N,N',4-trimethyl-2-(methylamino)pentanehydrazide
SMILESCN[C@@H](CC(C)C)C(=O)N(C)NC
InChIInChI=1S/C9H21N3O/c1-7(2)6-8(10-3)9(13)12(5)11-4/h7-8,10-11H,6H2,1-5H3/t8-/m0/s1
InChIKeyRNFGFPVBVNJMKA-QMMMGPOBSA-N
XLogP0.21
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N',4-trimethyl-2-(methylamino)pentanehydrazide?
The IUPAC name of (2S)-N,N',4-trimethyl-2-(methylamino)pentanehydrazide (CID 50994387) is (2S)-N,N',4-trimethyl-2-(methylamino)pentanehydrazide.
What is the SMILES notation for (2S)-N,N',4-trimethyl-2-(methylamino)pentanehydrazide?
The canonical SMILES for (2S)-N,N',4-trimethyl-2-(methylamino)pentanehydrazide is CN[C@@H](CC(C)C)C(=O)N(C)NC.
What is the InChIKey of (2S)-N,N',4-trimethyl-2-(methylamino)pentanehydrazide?
The InChIKey is RNFGFPVBVNJMKA-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H21N3O/c1-7(2)6-8(10-3)9(13)12(5)11-4/h7-8,10-11H,6H2,1-5H3/t8-/m0/s1.
What are the key properties of (2S)-N,N',4-trimethyl-2-(methylamino)pentanehydrazide?
(2S)-N,N',4-trimethyl-2-(methylamino)pentanehydrazide has a molecular weight of 187.29 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N',4-trimethyl-2-(methylamino)pentanehydrazide is sourced from PubChem (CID 50994387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).