2-[bis(2-methylpropyl)amino]butanehydrazide

C12H27N3O — CID 63585587

IUPAC2-[bis(2-methylpropyl)amino]butanehydrazide
SMILESCCC(C(=O)NN)N(CC(C)C)CC(C)C
InChIInChI=1S/C12H27N3O/c1-6-11(12(16)14-13)15(7-9(2)3)8-10(4)5/h9-11H,6-8,13H2,1-5H3,(H,14,16)
InChIKeyIHNYNNIAJIYXKH-UHFFFAOYSA-N
MW229.37 g/mol
LogP1.37
Rot. Bonds7

About 2-[bis(2-methylpropyl)amino]butanehydrazide

2-[bis(2-methylpropyl)amino]butanehydrazide (PubChem CID 63585587) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-[bis(2-methylpropyl)amino]butanehydrazide.

Molecular Properties

Compound Name2-[bis(2-methylpropyl)amino]butanehydrazide
PubChem CID63585587
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-[bis(2-methylpropyl)amino]butanehydrazide
SMILESCCC(C(=O)NN)N(CC(C)C)CC(C)C
InChIInChI=1S/C12H27N3O/c1-6-11(12(16)14-13)15(7-9(2)3)8-10(4)5/h9-11H,6-8,13H2,1-5H3,(H,14,16)
InChIKeyIHNYNNIAJIYXKH-UHFFFAOYSA-N
XLogP1.37
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 51.37
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

2-[bis(2-methylpropyl)amino]propanehydrazide
CID 63585398
2-[bis(2-hydroxyethyl)amino]butanehydrazide
CID 63573033
2-[cyclopropyl(2-methylpropyl)amino]butanehydrazide
CID 63584160
2-[ethyl(2-methylpropyl)amino]-3-methylbutanehydrazide
CID 63571387
(2S)-2-(dimethylamino)butanehydrazide
CID 30403559
2-[butan-2-yl(ethyl)amino]butanehydrazide
CID 63571401
N-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]butanamide
CID 82224572
3-[bis(2-methylpropyl)amino]butanehydrazide
CID 63583922
2-[3-(diethylamino)propyl-ethylamino]butanehydrazide
CID 102998207
3-methoxy-2-[methyl(2-methylpropyl)amino]propanehydrazide
CID 103229498
2-[cyclopropyl(2-methylpropyl)amino]pentanehydrazide
CID 83048058
2-[cyclopropyl(methyl)amino]butanehydrazide
CID 63573257

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methylpropyl)amino]butanehydrazide?
The IUPAC name of 2-[bis(2-methylpropyl)amino]butanehydrazide (CID 63585587) is 2-[bis(2-methylpropyl)amino]butanehydrazide.
What is the SMILES notation for 2-[bis(2-methylpropyl)amino]butanehydrazide?
The canonical SMILES for 2-[bis(2-methylpropyl)amino]butanehydrazide is CCC(C(=O)NN)N(CC(C)C)CC(C)C.
What is the InChIKey of 2-[bis(2-methylpropyl)amino]butanehydrazide?
The InChIKey is IHNYNNIAJIYXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-6-11(12(16)14-13)15(7-9(2)3)8-10(4)5/h9-11H,6-8,13H2,1-5H3,(H,14,16).
What are the key properties of 2-[bis(2-methylpropyl)amino]butanehydrazide?
2-[bis(2-methylpropyl)amino]butanehydrazide has a molecular weight of 229.37 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methylpropyl)amino]butanehydrazide is sourced from PubChem (CID 63585587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).