3-[butan-2-yl(butyl)amino]propanehydrazide

C11H25N3O — CID 63577909

IUPAC3-[butan-2-yl(butyl)amino]propanehydrazide
SMILESCCCCN(CCC(=O)NN)C(C)CC
InChIInChI=1S/C11H25N3O/c1-4-6-8-14(10(3)5-2)9-7-11(15)13-12/h10H,4-9,12H2,1-3H3,(H,13,15)
InChIKeyBVFTXZXMAPFAKP-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.27
Rot. Bonds8

About 3-[butan-2-yl(butyl)amino]propanehydrazide

3-[butan-2-yl(butyl)amino]propanehydrazide (PubChem CID 63577909) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-[butan-2-yl(butyl)amino]propanehydrazide.

Molecular Properties

Compound Name3-[butan-2-yl(butyl)amino]propanehydrazide
PubChem CID63577909
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name3-[butan-2-yl(butyl)amino]propanehydrazide
SMILESCCCCN(CCC(=O)NN)C(C)CC
InChIInChI=1S/C11H25N3O/c1-4-6-8-14(10(3)5-2)9-7-11(15)13-12/h10H,4-9,12H2,1-3H3,(H,13,15)
InChIKeyBVFTXZXMAPFAKP-UHFFFAOYSA-N
XLogP1.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.27
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

3-[butan-2-yl(butyl)amino]propanamide
CID 60648074
5-[pentyl(propan-2-yl)amino]pentanehydrazide
CID 55214628
4-[ethyl(propan-2-yl)amino]butanehydrazide
CID 63573828
5-[butyl(methyl)amino]pentanehydrazide
CID 63570432
3-[2-hydroxyethyl(pentan-3-yl)amino]propanehydrazide
CID 63585165
4-[butan-2-yl(butyl)amino]-2-(methylamino)butanamide
CID 63053272
4-[2-methoxyethyl(3-methoxypropyl)amino]pentanehydrazide
CID 63584376
1-[butan-2-yl(butyl)amino]-4-methoxy-4-methylpentan-3-one
CID 114228990
4-[[butan-2-yl(butyl)amino]methyl]benzohydrazide
CID 63578262
N'-butan-2-yl-N'-butyl-N-propylbutane-1,4-diamine
CID 55069340
methyl 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoate
CID 63054156
4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoic acid
CID 63053630

Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(butyl)amino]propanehydrazide?
The IUPAC name of 3-[butan-2-yl(butyl)amino]propanehydrazide (CID 63577909) is 3-[butan-2-yl(butyl)amino]propanehydrazide.
What is the SMILES notation for 3-[butan-2-yl(butyl)amino]propanehydrazide?
The canonical SMILES for 3-[butan-2-yl(butyl)amino]propanehydrazide is CCCCN(CCC(=O)NN)C(C)CC.
What is the InChIKey of 3-[butan-2-yl(butyl)amino]propanehydrazide?
The InChIKey is BVFTXZXMAPFAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-4-6-8-14(10(3)5-2)9-7-11(15)13-12/h10H,4-9,12H2,1-3H3,(H,13,15).
What are the key properties of 3-[butan-2-yl(butyl)amino]propanehydrazide?
3-[butan-2-yl(butyl)amino]propanehydrazide has a molecular weight of 215.34 g/mol, XLogP of 1.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(butyl)amino]propanehydrazide is sourced from PubChem (CID 63577909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).