2-amino-N,3,3-trimethylbutanehydrazide

C7H17N3O — CID 116848874

IUPAC2-amino-N,3,3-trimethylbutanehydrazide
SMILESCN(N)C(=O)C(N)C(C)(C)C
InChIInChI=1S/C7H17N3O/c1-7(2,3)5(8)6(11)10(4)9/h5H,8-9H2,1-4H3
InChIKeyAPCIJIUMEYEMPE-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.31
Rot. Bonds1

About 2-amino-N,3,3-trimethylbutanehydrazide

2-amino-N,3,3-trimethylbutanehydrazide (PubChem CID 116848874) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-amino-N,3,3-trimethylbutanehydrazide.

Molecular Properties

Compound Name2-amino-N,3,3-trimethylbutanehydrazide
PubChem CID116848874
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name2-amino-N,3,3-trimethylbutanehydrazide
SMILESCN(N)C(=O)C(N)C(C)(C)C
InChIInChI=1S/C7H17N3O/c1-7(2,3)5(8)6(11)10(4)9/h5H,8-9H2,1-4H3
InChIKeyAPCIJIUMEYEMPE-UHFFFAOYSA-N
XLogP-0.31
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-carbamoyl-N,3,3-trimethylbutanamide
CID 87212961
(2S)-2-amino-N-ethyl-N,3,3-trimethylbutanamide
CID 61154665
2-amino-N-(1-hydroxypropan-2-yl)-N,3,3-trimethylbutanamide
CID 104551690
2-amino-N-cyclopentyl-N,3,3-trimethylbutanamide
CID 76893337
(2S)-2-amino-N,N-bis[3-(dimethylamino)propyl]-3,3-dimethylbutanamide
CID 61163638
(2R)-2-amino-N-(3-hydroxybutyl)-N,3,3-trimethylbutanamide
CID 104869216
2-amino-N,N-bis(2-amino-2-oxoethyl)-3,3-dimethylbutanamide
CID 76977906
2-amino-N-(1,3-dioxolan-2-yl)-N,3,3-trimethylbutanamide
CID 173122588
(2R)-2-amino-N-(4,4-dimethylcyclohexyl)-N,3,3-trimethylbutanamide
CID 113353538
2-amino-3,3-dimethyl-N,N-bis(prop-2-enyl)butanamide
CID 76892270
(2R)-2-amino-N,3,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 113353361
2-amino-N-(2-hydroxy-3-methoxypropyl)-N,3,3-trimethylbutanamide
CID 76911278

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,3,3-trimethylbutanehydrazide?
The IUPAC name of 2-amino-N,3,3-trimethylbutanehydrazide (CID 116848874) is 2-amino-N,3,3-trimethylbutanehydrazide.
What is the SMILES notation for 2-amino-N,3,3-trimethylbutanehydrazide?
The canonical SMILES for 2-amino-N,3,3-trimethylbutanehydrazide is CN(N)C(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-N,3,3-trimethylbutanehydrazide?
The InChIKey is APCIJIUMEYEMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-7(2,3)5(8)6(11)10(4)9/h5H,8-9H2,1-4H3.
What are the key properties of 2-amino-N,3,3-trimethylbutanehydrazide?
2-amino-N,3,3-trimethylbutanehydrazide has a molecular weight of 159.23 g/mol, XLogP of -0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,3,3-trimethylbutanehydrazide is sourced from PubChem (CID 116848874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).