1-(4-butan-2-ylphenyl)-N-methylcyclopropane-1-carbohydrazide

C15H22N2O — CID 116846034

IUPAC1-(4-butan-2-ylphenyl)-N-methylcyclopropane-1-carbohydrazide
SMILESCCC(C)c1ccc(C2(C(=O)N(C)N)CC2)cc1
InChIInChI=1S/C15H22N2O/c1-4-11(2)12-5-7-13(8-6-12)15(9-10-15)14(18)17(3)16/h5-8,11H,4,9-10,16H2,1-3H3
InChIKeyXRCZSSILPHBLRS-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.56
Rot. Bonds4

About 1-(4-butan-2-ylphenyl)-N-methylcyclopropane-1-carbohydrazide

1-(4-butan-2-ylphenyl)-N-methylcyclopropane-1-carbohydrazide (PubChem CID 116846034) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-N-methylcyclopropane-1-carbohydrazide.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-N-methylcyclopropane-1-carbohydrazide
PubChem CID116846034
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(4-butan-2-ylphenyl)-N-methylcyclopropane-1-carbohydrazide
SMILESCCC(C)c1ccc(C2(C(=O)N(C)N)CC2)cc1
InChIInChI=1S/C15H22N2O/c1-4-11(2)12-5-7-13(8-6-12)15(9-10-15)14(18)17(3)16/h5-8,11H,4,9-10,16H2,1-3H3
InChIKeyXRCZSSILPHBLRS-UHFFFAOYSA-N
XLogP2.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-methyl-1-phenylcyclopropane-1-carbohydrazide
CID 116846008
3-(4-butan-2-ylphenyl)oxetane-3-carboxamide
CID 116876145
N-methyl-1-(2-oxo-1,3-dihydroindol-5-yl)cyclopropane-1-carbohydrazide
CID 116846053
2-amino-2-(4-butan-2-ylphenyl)acetamide
CID 116850739
3-amino-1-(4-butan-2-ylphenyl)butan-1-one
CID 116915577
N-(2-hydroxypropyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 62335163
1-[(4-butan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116928741
2-amino-N-(4-butan-2-ylphenyl)-1-methylcyclopentane-1-carboxamide
CID 82763771
2-amino-1-(4-butan-2-ylphenyl)propan-1-one
CID 82048669
4-butan-2-ylbenzohydrazide
CID 83386529
2-[(4-butan-2-ylphenyl)methyl-methylamino]acetamide
CID 115259965
[1-(4-butan-2-ylphenyl)-2,2-dimethylcyclopropyl]methanol
CID 116842627

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-N-methylcyclopropane-1-carbohydrazide?
The IUPAC name of 1-(4-butan-2-ylphenyl)-N-methylcyclopropane-1-carbohydrazide (CID 116846034) is 1-(4-butan-2-ylphenyl)-N-methylcyclopropane-1-carbohydrazide.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-N-methylcyclopropane-1-carbohydrazide?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-N-methylcyclopropane-1-carbohydrazide is CCC(C)c1ccc(C2(C(=O)N(C)N)CC2)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-N-methylcyclopropane-1-carbohydrazide?
The InChIKey is XRCZSSILPHBLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-11(2)12-5-7-13(8-6-12)15(9-10-15)14(18)17(3)16/h5-8,11H,4,9-10,16H2,1-3H3.
What are the key properties of 1-(4-butan-2-ylphenyl)-N-methylcyclopropane-1-carbohydrazide?
1-(4-butan-2-ylphenyl)-N-methylcyclopropane-1-carbohydrazide has a molecular weight of 246.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-N-methylcyclopropane-1-carbohydrazide is sourced from PubChem (CID 116846034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).