4-[[butan-2-yl(butyl)amino]methyl]benzohydrazide

C16H27N3O — CID 63578262

IUPAC4-[[butan-2-yl(butyl)amino]methyl]benzohydrazide
SMILESCCCCN(Cc1ccc(C(=O)NN)cc1)C(C)CC
InChIInChI=1S/C16H27N3O/c1-4-6-11-19(13(3)5-2)12-14-7-9-15(10-8-14)16(20)18-17/h7-10,13H,4-6,11-12,17H2,1-3H3,(H,18,20)
InChIKeySJGAKBFJULKSAV-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.69
Rot. Bonds8

About 4-[[butan-2-yl(butyl)amino]methyl]benzohydrazide

4-[[butan-2-yl(butyl)amino]methyl]benzohydrazide (PubChem CID 63578262) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-[[butan-2-yl(butyl)amino]methyl]benzohydrazide.

Molecular Properties

Compound Name4-[[butan-2-yl(butyl)amino]methyl]benzohydrazide
PubChem CID63578262
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-[[butan-2-yl(butyl)amino]methyl]benzohydrazide
SMILESCCCCN(Cc1ccc(C(=O)NN)cc1)C(C)CC
InChIInChI=1S/C16H27N3O/c1-4-6-11-19(13(3)5-2)12-14-7-9-15(10-8-14)16(20)18-17/h7-10,13H,4-6,11-12,17H2,1-3H3,(H,18,20)
InChIKeySJGAKBFJULKSAV-UHFFFAOYSA-N
XLogP2.69
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.69
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

4-[[propan-2-yl(propyl)amino]methyl]benzohydrazide
CID 63573274
4-[[ethyl(propan-2-yl)amino]methyl]benzohydrazide
CID 63573634
4-[[butan-2-yl(methyl)amino]methyl]benzohydrazide
CID 63573814
4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]benzohydrazide
CID 112666671
3-[butan-2-yl(butyl)amino]propanehydrazide
CID 63577909
4-[[ethyl(2-hydroxyethyl)amino]methyl]benzohydrazide
CID 63572832
4-[[butan-2-yl(butyl)amino]methyl]-2-chlorophenol
CID 82986375
methyl 3-bromo-4-[[butan-2-yl(butyl)amino]methyl]benzoate
CID 102767391
4-[[butan-2-yl(butyl)amino]methyl]-3-chlorobenzoic acid
CID 102669943
2-[4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenyl]acetic acid
CID 105345880
4-[[cyclopropylmethyl(propyl)amino]methyl]benzohydrazide
CID 63583220
2-[ethyl-[[4-(hydrazinecarbonyl)phenyl]methyl]amino]-N-propan-2-ylacetamide
CID 63584771

Frequently Asked Questions

What is the IUPAC name of 4-[[butan-2-yl(butyl)amino]methyl]benzohydrazide?
The IUPAC name of 4-[[butan-2-yl(butyl)amino]methyl]benzohydrazide (CID 63578262) is 4-[[butan-2-yl(butyl)amino]methyl]benzohydrazide.
What is the SMILES notation for 4-[[butan-2-yl(butyl)amino]methyl]benzohydrazide?
The canonical SMILES for 4-[[butan-2-yl(butyl)amino]methyl]benzohydrazide is CCCCN(Cc1ccc(C(=O)NN)cc1)C(C)CC.
What is the InChIKey of 4-[[butan-2-yl(butyl)amino]methyl]benzohydrazide?
The InChIKey is SJGAKBFJULKSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-6-11-19(13(3)5-2)12-14-7-9-15(10-8-14)16(20)18-17/h7-10,13H,4-6,11-12,17H2,1-3H3,(H,18,20).
What are the key properties of 4-[[butan-2-yl(butyl)amino]methyl]benzohydrazide?
4-[[butan-2-yl(butyl)amino]methyl]benzohydrazide has a molecular weight of 277.41 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butan-2-yl(butyl)amino]methyl]benzohydrazide is sourced from PubChem (CID 63578262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).