4-bromo-2-[cyclobutyl(hydrazinyl)methyl]aniline

C11H16BrN3 — CID 105263606

IUPAC4-bromo-2-[cyclobutyl(hydrazinyl)methyl]aniline
SMILESNNC(c1cc(Br)ccc1N)C1CCC1
InChIInChI=1S/C11H16BrN3/c12-8-4-5-10(13)9(6-8)11(15-14)7-2-1-3-7/h4-7,11,15H,1-3,13-14H2
InChIKeyNHBQRIRALNRITD-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.34
Rot. Bonds3

About 4-bromo-2-[cyclobutyl(hydrazinyl)methyl]aniline

4-bromo-2-[cyclobutyl(hydrazinyl)methyl]aniline (PubChem CID 105263606) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 4-bromo-2-[cyclobutyl(hydrazinyl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-2-[cyclobutyl(hydrazinyl)methyl]aniline
PubChem CID105263606
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name4-bromo-2-[cyclobutyl(hydrazinyl)methyl]aniline
SMILESNNC(c1cc(Br)ccc1N)C1CCC1
InChIInChI=1S/C11H16BrN3/c12-8-4-5-10(13)9(6-8)11(15-14)7-2-1-3-7/h4-7,11,15H,1-3,13-14H2
InChIKeyNHBQRIRALNRITD-UHFFFAOYSA-N
XLogP2.34
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[cyclobutyl-(2,5-dibromophenyl)methyl]hydrazine
CID 105340154
[(5-bromo-2-chlorophenyl)-cyclobutylmethyl]hydrazine
CID 105340076
2-[cyclopentyl(hydrazinyl)methyl]-4-fluoroaniline
CID 105263116
[(2,5-dibromophenyl)-(oxan-3-yl)methyl]hydrazine
CID 107139773
[(5-bromo-2-methylphenyl)-(oxan-3-yl)methyl]hydrazine
CID 107139910
[[4-bromo-2-(trifluoromethyl)phenyl]-cyclopropylmethyl]hydrazine
CID 105212772
4-bromo-2-[(3-cyclobutylphenyl)-hydrazinylmethyl]aniline
CID 105263441
[(5-bromo-2-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105280693
4-fluoro-2-[hydrazinyl(oxan-3-yl)methyl]aniline
CID 107139674
[(2-bromo-3-fluorophenyl)-cyclobutylmethyl]hydrazine
CID 105340099
2-(2-amino-5-bromophenyl)-2-(3-methylcyclohexyl)acetic acid
CID 106987383
(2-amino-5-bromophenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 82703710

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[cyclobutyl(hydrazinyl)methyl]aniline?
The IUPAC name of 4-bromo-2-[cyclobutyl(hydrazinyl)methyl]aniline (CID 105263606) is 4-bromo-2-[cyclobutyl(hydrazinyl)methyl]aniline.
What is the SMILES notation for 4-bromo-2-[cyclobutyl(hydrazinyl)methyl]aniline?
The canonical SMILES for 4-bromo-2-[cyclobutyl(hydrazinyl)methyl]aniline is NNC(c1cc(Br)ccc1N)C1CCC1.
What is the InChIKey of 4-bromo-2-[cyclobutyl(hydrazinyl)methyl]aniline?
The InChIKey is NHBQRIRALNRITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c12-8-4-5-10(13)9(6-8)11(15-14)7-2-1-3-7/h4-7,11,15H,1-3,13-14H2.
What are the key properties of 4-bromo-2-[cyclobutyl(hydrazinyl)methyl]aniline?
4-bromo-2-[cyclobutyl(hydrazinyl)methyl]aniline has a molecular weight of 270.17 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[cyclobutyl(hydrazinyl)methyl]aniline is sourced from PubChem (CID 105263606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).